2-[[2-[[2-[[5-azanyl-2-[2-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]propanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[2-[[2-[[5-azanyl-2-[2-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]propanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-[[2-[[5-amino-2-[2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]propanoylamino]-5-oxo-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[2-[[2-[[5-amino-2-[[2-[[2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[2-[[2-[[5-amino-2-[2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[2-[[2-[[5-amino-2-[2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]propanoylamino]-5-keto-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propionic acid Formula: C45H67N9O12 MolecularWeight: 926.06658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H67N9O12/c1-23(2)19-31(41(61)53-34(22-55)45(65)66)52-44(64)37(25(5)6)54-39(59)30(17-18-35(46)57)49-38(58)26(7)48-40(60)32(20-27-11-9-8-10-12-27)50-42(62)33(51-43(63)36(47)24(3)4)21-28-13-15-29(56)16-14-28/h8-16,23-26,30-34,36-37,55-56H,17-22,47H2,1-7H3,(H2,46,57)(H,48,60)(H,49,58)(H,50,62)(H,51,63)(H,52,64)(H,53,61)(H,54,59)(H,65,66)