5-[[1-[2-[[4-methyl-1-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-4-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid

Systemtic Name: 5-[[1-[2-[[4-methyl-1-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-4-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid Openeye Name: 4-[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]-5-[[1-[2-[[1-[(1-carboxy-2-methyl-propyl)carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidine-1-carbonyl]-2-hydroxy-propyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[3-hydroxy-1-[2-[[[1-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxobutan-2-yl]amino]-4-[[3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[3-hydroxy-1-[2-[[1-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-4-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoic acid Traditional Name: 4-[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]-5-[[1-[2-[[1-[(1-carboxy-2-methyl-propyl)carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidine-1-carbonyl]-2-hydroxy-propyl]amino]-5-keto-valeric acid Formula: C36H54N6O13 MolecularWeight: 778.84636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)C1CCCN1C(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)C1CCCN1C(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C36H54N6O13/c1-19(2)16-24(31(48)40-28(20(3)4)35(52)53)38-33(50)26-12-9-15-42(26)34(51)29(21(5)44)41-30(47)23(13-14-27(45)46)37-32(49)25(17-43)39-36(54)55-18-22-10-7-6-8-11-22/h6-8,10-11,19-21,23-26,28-29,43-44H,9,12-18H2,1-5H3,(H,37,49)(H,38,50)(H,39,54)(H,40,48)(H,41,47)(H,45,46)(H,52,53)