(2R)-2-acetamido-3-[[(2S)-1-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-[(2S,4R)-4-phenylmethoxy-2-[[phenylmethoxycarbonyl(propyl)amino]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1,3-bis(oxidanylidene)propan-2-yl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: (2R)-2-acetamido-3-[[(2S)-1-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-[(2S,4R)-4-phenylmethoxy-2-[[phenylmethoxycarbonyl(propyl)amino]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1,3-bis(oxidanylidene)propan-2-yl]amino]-3-oxidanylidene-propanoic acid Openeye Name: (2R)-2-acetamido-3-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-[(2S,4R)-4-benzyloxy-2-[[benzyloxycarbonyl(propyl)amino]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-hydroxy-2-oxo-ethyl]amino]-3-oxo-propanoic acid CAS Name: (2R)-2-acetamido-3-[[(2S)-1-hydroxy-3-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4R)-2-[oxo-(2-phenylmethoxycarbonyl-2-propylhydrazinyl)methyl]-4-phenylmethoxy-1-pyrrolidinyl]butan-2-yl]amino]-1-oxopentan-2-yl]amino]-1,3-dioxopropan-2-yl]amino]-3-oxopropanoic acid IUPAC Name: (2R)-2-acetamido-3-[[(2S)-1-hydroxy-3-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4R)-4-phenylmethoxy-2-[[phenylmethoxycarbonyl(propyl)amino]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxopentan-2-yl]amino]-1,3-dioxopropan-2-yl]amino]-3-oxopropanoic acid Traditional Name: (2R)-2-acetamido-3-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-[(2S,4R)-4-benzoxy-2-[[carbobenzoxy(propyl)amino]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-hydroxy-2-keto-ethyl]amino]-3-keto-propionic acid Formula: C42H57N7O13 MolecularWeight: 867.94108

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)OCC1=CC=CC=C1)NC(=O)C2CC(CN2C(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)C(C(=O)O)NC(=O)C(C(=O)O)NC(=O)C)OCC3=CC=CC=C3

Isomeric SMILES

CCCN(C(=O)OCC1=CC=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](C(=O)O)NC(=O)[C@H](C(=O)O)NC(=O)C)OCC3=CC=CC=C3

InChI

InChI=1S/C42H57N7O13/c1-7-19-49(42(60)62-23-28-17-13-10-14-18-28)47-35(51)30-20-29(61-22-27-15-11-9-12-16-27)21-48(30)39(55)31(24(3)4)44-36(52)32(25(5)8-2)45-38(54)34(41(58)59)46-37(53)33(40(56)57)43-26(6)50/h9-18,24-25,29-34H,7-8,19-23H2,1-6H3,(H,43,50)(H,44,52)(H,45,54)(H,46,53)(H,47,51)(H,56,57)(H,58,59)/t25-,29+,30-,31-,32-,33+,34-/m0/s1