2-[[2-[[6-azanyl-2-[[2-[[2-[2-[2-(2-azanylethanoylamino)propanoylamino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[6-azanyl-2-[[2-[[2-[2-[2-(2-azanylethanoylamino)propanoylamino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[6-amino-2-[[2-[[2-[[2-[2-[(2-aminoacetyl)amino]propanoylamino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxohexyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[6-amino-2-[[2-[[2-[[2-[2-[(2-aminoacetyl)amino]propanoylamino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[6-amino-2-[[2-[[2-[[2-[2-(glycylamino)propanoylamino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-4-(methylthio)butanoyl]amino]-4-methyl-valeric acid Formula: C38H63N9O10S MolecularWeight: 838.02612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C(C)NC(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C(C)NC(=O)CN

InChI

InChI=1S/C38H63N9O10S/c1-21(2)17-29(38(56)57)46-35(53)27(14-16-58-6)44-34(52)26(9-7-8-15-39)45-37(55)32(22(3)4)47-36(54)28(18-24-10-12-25(48)13-11-24)43-31(50)20-41-33(51)23(5)42-30(49)19-40/h10-13,21-23,26-29,32,48H,7-9,14-20,39-40H2,1-6H3,(H,41,51)(H,42,49)(H,43,50)(H,44,52)(H,45,55)(H,46,53)(H,47,54)(H,56,57)