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

Systemtic Name: 5-azanyl-2-[[2-[[2-[[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-[[2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[[2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-(methylthio)-1-oxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-[[2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylsulfanylbutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[2-[[2-[[4-hydroxy-4-keto-2-[[4-(methylthio)-2-(phenylalanylamino)butanoyl]amino]butanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-keto-valeric acid Formula: C37H51N7O11S MolecularWeight: 801.90614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C37H51N7O11S/c1-20(2)31(36(53)43-27(18-22-9-11-23(45)12-10-22)34(51)41-26(37(54)55)13-14-29(39)46)44-35(52)28(19-30(47)48)42-33(50)25(15-16-56-3)40-32(49)24(38)17-21-7-5-4-6-8-21/h4-12,20,24-28,31,45H,13-19,38H2,1-3H3,(H2,39,46)(H,40,49)(H,41,51)(H,42,50)(H,43,53)(H,44,52)(H,47,48)(H,54,55)