2-[[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-pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[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-pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[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-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[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]-1,5-dioxopentyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[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-oxopentanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[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-pentanoyl]amino]-4-methyl-valeric acid Formula: C47H70N10O14S MolecularWeight: 1031.1823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCSC)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

CC(C)CC(C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCSC)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/C47H70N10O14S/c1-26(2)21-36(47(70)71)56-42(65)32(16-17-38(50)60)52-43(66)33(18-20-72-3)53-45(68)35(24-39(61)62)55-41(64)31(11-7-8-19-48)51-44(67)34(23-27-9-5-4-6-10-27)54-46(69)37(25-58)57-40(63)30(49)22-28-12-14-29(59)15-13-28/h4-6,9-10,12-15,26,30-37,58-59H,7-8,11,16-25,48-49H2,1-3H3,(H2,50,60)(H,51,67)(H,52,66)(H,53,68)(H,54,69)(H,55,64)(H,56,65)(H,57,63)(H,61,62)(H,70,71)