(2R)-2-acetamido-3-[[(2S)-1-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-[(2S,4R)-2-[[[(1R)-1-phenylethyl]carbamoyl-propyl-amino]carbamoyl]-4-phenylmethoxy-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)-2-[[[(1R)-1-phenylethyl]carbamoyl-propyl-amino]carbamoyl]-4-phenylmethoxy-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-[[[(1R)-1-phenylethyl]carbamoyl-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-[oxo-[[(1R)-1-phenylethyl]amino]methyl]-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)-2-[[[(1R)-1-phenylethyl]carbamoyl-propylamino]carbamoyl]-4-phenylmethoxypyrrolidin-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-[[[(1R)-1-phenylethyl]carbamoyl-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: C43H60N8O12 MolecularWeight: 880.9829

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)NC(C)C1=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)N[C@H](C)C1=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/C43H60N8O12/c1-8-20-51(43(62)44-26(6)29-18-14-11-15-19-29)49-36(53)31-21-30(63-23-28-16-12-10-13-17-28)22-50(31)40(57)32(24(3)4)46-37(54)33(25(5)9-2)47-39(56)35(42(60)61)48-38(55)34(41(58)59)45-27(7)52/h10-19,24-26,30-35H,8-9,20-23H2,1-7H3,(H,44,62)(H,45,52)(H,46,54)(H,47,56)(H,48,55)(H,49,53)(H,58,59)(H,60,61)/t25-,26+,30+,31-,32-,33-,34+,35-/m0/s1