(2R)-2-acetamido-3-[[(2S)-1-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-[(2S,4R)-4-phenylmethoxy-2-[[3-phenylpropanoyl(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-[[3-phenylpropanoyl(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-[[3-phenylpropanoyl(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-(1-oxo-3-phenylpropyl)-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-[[3-phenylpropanoyl(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-[[hydrocinnamoyl(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: C43H59N7O12 MolecularWeight: 865.96826

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)CCC1=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)CCC1=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/C43H59N7O12/c1-7-21-50(32(52)20-19-28-15-11-9-12-16-28)48-37(53)31-22-30(62-24-29-17-13-10-14-18-29)23-49(31)41(57)33(25(3)4)45-38(54)34(26(5)8-2)46-40(56)36(43(60)61)47-39(55)35(42(58)59)44-27(6)51/h9-18,25-26,30-31,33-36H,7-8,19-24H2,1-6H3,(H,44,51)(H,45,54)(H,46,56)(H,47,55)(H,48,53)(H,58,59)(H,60,61)/t26-,30+,31-,33-,34-,35+,36-/m0/s1