356044 <common-name>(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-1-[(2s)-2-[[(2s)-5-amino-2-[[(2s,3r)-2-[[(2s,3s)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoic acid</common-name> <description>(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-1-[(2s)-2-[[(2s)-5-amino-2-[[(2s,3r)-2-[[(2s,3s)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoic acid has the chemical formula C42H67N9O12. With an average molecular weight of 890.00 g/mol, (2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-1-[(2s)-2-[[(2s)-5-amino-2-[[(2s,3r)-2-[[(2s,3s)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoic acid is a heavy molecule.</description> <cas>319927-23-6</cas> <pubchem-id>131852398</pubchem-id> <chemical-formula>C42H67N9O12</chemical-formula> <weight>890</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-09-01T01:10:30Z</created-at> <updated-at type="dateTime">2026-09-01T01:10:30Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)O)N</moldb-smiles> <moldb-formula>C42H67N9O12</moldb-formula> <moldb-inchi>InChI=1S/C42H67N9O12/c1-8-23(6)31(44)39(59)50-34(24(7)53)40(60)45-26(16-17-30(43)54)35(55)48-32(21(2)3)41(61)51-18-12-15-29(51)38(58)46-27(19-25-13-10-9-11-14-25)36(56)47-28(20-52)37(57)49-33(22(4)5)42(62)63/h9-11,13-14,21-24,26-29,31-34,52-53H,8,12,15-20,44H2,1-7H3,(H2,43,54)(H,45,60)(H,46,58)(H,47,56)(H,48,55)(H,49,57)(H,50,59)(H,62,63)/t23-,24+,26-,27-,28-,29-,31-,32-,33-,34-/m0/s1</moldb-inchi> <moldb-inchikey>OMTLZHZHNZQPFL-APLGHMMUSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">889.4909186</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM351937</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-1-[(2s)-2-[[(2s)-5-amino-2-[[(2s,3r)-2-[[(2s,3s)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0306294</sync-id> <structure-inchikey>OMTLZHZHNZQPFL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000081c00000080400000901000000000040000002100020000200009002000000000000002000000004000000000000020000000020800010000010004000000400000000000080000020000000004000000001009000000000002000010000000400004000000000000000020100000000000000000000100800000040200000800002020000000080001000000100000000000000000000000000000004000100000000080010000000000000000800008000000000002200801008000000000000a000000000000000000400000100000002a0000480400000000000000800400040000020000400000000010000000000020080000000</structure-fingerprint> 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