4-[[2-[[5-azanyl-2-[[2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]ethanoylamino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[2-[[5-azanyl-2-[[2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]ethanoylamino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-[[5-amino-2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]acetyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[1-[(1-carboxy-2-hydroxy-propyl)carbamoyl]-3-methyl-butyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[5-amino-2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-5-[[1-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[[5-amino-2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-[[1-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[[2-[[5-amino-5-keto-2-[[4-methyl-2-[[2-(phenylalanylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[1-[(1-carboxy-2-hydroxy-propyl)carbamoyl]-3-methyl-butyl]amino]-5-keto-valeric acid Formula: C43H69N9O13 MolecularWeight: 920.06046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)O)NC(=O)CNC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)O)NC(=O)CNC(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C43H69N9O13/c1-22(2)17-30(47-34(55)21-46-37(58)27(44)20-26-11-9-8-10-12-26)40(61)48-28(13-15-33(45)54)38(59)50-31(18-23(3)4)41(62)49-29(14-16-35(56)57)39(60)51-32(19-24(5)6)42(63)52-36(25(7)53)43(64)65/h8-12,22-25,27-32,36,53H,13-21,44H2,1-7H3,(H2,45,54)(H,46,58)(H,47,55)(H,48,61)(H,49,62)(H,50,59)(H,51,60)(H,52,63)(H,56,57)(H,64,65)