5-[[1-[[3,3-dimethyl-1-[[4-methyl-1-oxidanylidene-1-[2-(2-oxidanylideneheptanoyl)hydrazinyl]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-(2-methylphenyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-4-[[2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-phenylmethoxy-propanoyl]amino]pentanoic acid

Systemtic Name: 5-[[1-[[3,3-dimethyl-1-[[4-methyl-1-oxidanylidene-1-[2-(2-oxidanylideneheptanoyl)hydrazinyl]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-(2-methylphenyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-4-[[2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-phenylmethoxy-propanoyl]amino]pentanoic acid Openeye Name: 4-[[3-benzyloxy-2-[(4-hydroxy-4-oxo-butanoyl)amino]propanoyl]amino]-5-[[2-[[2,2-dimethyl-1-[[3-methyl-1-[(2-oxoheptanoylamino)carbamoyl]butyl]carbamoyl]propyl]amino]-1-(o-tolylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[1-[[1-[[1-(1,2-dioxoheptylhydrazo)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-(2-methylphenyl)-1-oxopropan-2-yl]amino]-4-[[2-[(4-hydroxy-1,4-dioxobutyl)amino]-1-oxo-3-phenylmethoxypropyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-[[3,3-dimethyl-1-[[4-methyl-1-oxo-1-[2-(2-oxoheptanoyl)hydrazinyl]pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(2-methylphenyl)-1-oxopropan-2-yl]amino]-4-[[2-[(4-hydroxy-4-oxobutanoyl)amino]-3-phenylmethoxypropanoyl]amino]-5-oxopentanoic acid Traditional Name: 4-[[3-benzoxy-2-[(4-hydroxy-4-keto-butanoyl)amino]propanoyl]amino]-5-keto-5-[[2-keto-2-[[1-[[1-[(2-ketoheptanoylamino)carbamoyl]-3-methyl-butyl]carbamoyl]-2,2-dimethyl-propyl]amino]-1-(2-methylbenzyl)ethyl]amino]valeric acid Formula: C48H69N7O13 MolecularWeight: 952.10056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(=O)NNC(=O)C(CC(C)C)NC(=O)C(C(C)(C)C)NC(=O)C(CC1=CC=CC=C1C)NC(=O)C(CCC(=O)O)NC(=O)C(COCC2=CC=CC=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCCC(=O)C(=O)NNC(=O)C(CC(C)C)NC(=O)C(C(C)(C)C)NC(=O)C(CC1=CC=CC=C1C)NC(=O)C(CCC(=O)O)NC(=O)C(COCC2=CC=CC=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C48H69N7O13/c1-8-9-11-20-37(56)46(66)55-54-45(65)34(25-29(2)3)52-47(67)41(48(5,6)7)53-43(63)35(26-32-19-15-14-16-30(32)4)51-42(62)33(21-23-39(58)59)50-44(64)36(49-38(57)22-24-40(60)61)28-68-27-31-17-12-10-13-18-31/h10,12-19,29,33-36,41H,8-9,11,20-28H2,1-7H3,(H,49,57)(H,50,64)(H,51,62)(H,52,67)(H,53,63)(H,54,65)(H,55,66)(H,58,59)(H,60,61)