5-azanyl-2-[[2-[[2-[[6-azanyl-2-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[2-[[2-[[6-azanyl-2-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-(methylthio)-1-oxobutyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[2-[[2-[[6-amino-2-[[2-[[3-hydroxy-2-(tyrosylamino)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-(methylthio)butanoyl]amino]-5-keto-valeric acid Formula: C41H59N9O13S MolecularWeight: 918.02466

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CSCCC(C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C41H59N9O13S/c1-64-18-16-28(37(58)47-29(41(62)63)14-15-33(44)53)46-39(60)31(21-34(54)55)49-36(57)27(9-5-6-17-42)45-38(59)30(20-23-7-3-2-4-8-23)48-40(61)32(22-51)50-35(56)26(43)19-24-10-12-25(52)13-11-24/h2-4,7-8,10-13,26-32,51-52H,5-6,9,14-22,42-43H2,1H3,(H2,44,53)(H,45,59)(H,46,60)(H,47,58)(H,48,61)(H,49,57)(H,50,56)(H,54,55)(H,62,63)