(4R)-4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-[(2S,4R)-2-[[pentan-3-yl-[[(1S)-1-phenylethyl]carbamoyl]amino]carbamoyl]-4-phenylmethoxy-pyrrolidin-1-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4R)-4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-[(2S,4R)-2-[[pentan-3-yl-[[(1S)-1-phenylethyl]carbamoyl]amino]carbamoyl]-4-phenylmethoxy-pyrrolidin-1-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4R)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-5-[[(1S,2S)-1-[[(1S)-1-[(2S,4R)-4-benzyloxy-2-[[1-ethylpropyl-[[(1S)-1-phenylethyl]carbamoyl]amino]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4R)-4-[[(2S)-2-acetamido-4-hydroxy-1,4-dioxobutyl]amino]-5-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4R)-2-[oxo-[2-[oxo-[[(1S)-1-phenylethyl]amino]methyl]-2-pentan-3-ylhydrazinyl]methyl]-4-phenylmethoxy-1-pyrrolidinyl]butan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4R)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4R)-2-[[pentan-3-yl-[[(1S)-1-phenylethyl]carbamoyl]amino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]butan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4R)-4-[[(2S)-2-acetamido-4-hydroxy-4-keto-butanoyl]amino]-5-[[(1S,2S)-1-[[(1S)-1-[(2S,4R)-4-benzoxy-2-[[1-ethylpropyl-[[(1S)-1-phenylethyl]carbamoyl]amino]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-butyl]amino]-5-keto-valeric acid Formula: C48H70N8O12 MolecularWeight: 951.1158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)N1CC(CC1C(=O)NN(C(CC)CC)C(=O)NC(C)C2=CC=CC=C2)OCC3=CC=CC=C3)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NN(C(CC)CC)C(=O)N[C@@H](C)C2=CC=CC=C2)OCC3=CC=CC=C3)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

InChI

InChI=1S/C48H70N8O12/c1-9-29(6)42(53-43(62)36(22-23-39(58)59)51-44(63)37(25-40(60)61)50-31(8)57)46(65)52-41(28(4)5)47(66)55-26-35(68-27-32-18-14-12-15-19-32)24-38(55)45(64)54-56(34(10-2)11-3)48(67)49-30(7)33-20-16-13-17-21-33/h12-21,28-30,34-38,41-42H,9-11,22-27H2,1-8H3,(H,49,67)(H,50,57)(H,51,63)(H,52,65)(H,53,62)(H,54,64)(H,58,59)(H,60,61)/t29-,30-,35+,36+,37-,38-,41-,42-/m0/s1