3-[[2-[2-[[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-4-[2-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]pyrrolidin-1-yl]butanoic acid

Systemtic Name: 3-[[2-[2-[[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-4-[2-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]pyrrolidin-1-yl]butanoic acid Openeye Name: 3-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-[2-[(1-benzyl-2-hydroxy-2-oxo-ethyl)carbamoyl]pyrrolidin-1-yl]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-[2-[[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]-1-pyrrolidinyl]-4-oxobutanoic acid IUPAC Name: 3-[[2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-[2-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid Traditional Name: 3-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-[2-[(1-benzyl-2-hydroxy-2-keto-ethyl)carbamoyl]pyrrolidino]-4-keto-butyric acid Formula: C44H62N8O12 MolecularWeight: 895.00948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C44H62N8O12/c1-24(2)19-29(45)38(57)50-36(25(3)4)42(61)51-37(26(5)53)41(60)46-23-34(54)47-30(20-27-13-8-6-9-14-27)39(58)48-31(22-35(55)56)43(62)52-18-12-17-33(52)40(59)49-32(44(63)64)21-28-15-10-7-11-16-28/h6-11,13-16,24-26,29-33,36-37,53H,12,17-23,45H2,1-5H3,(H,46,60)(H,47,54)(H,48,58)(H,49,59)(H,50,57)(H,51,61)(H,55,56)(H,63,64)