(4R)-4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-2-[[[(1S)-1-naphthalen-1-ylethyl]carbamoyl-propyl-amino]carbamoyl]-4-phenylmethoxy-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-oxidanyl-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-[(2S,4R)-2-[[[(1S)-1-naphthalen-1-ylethyl]carbamoyl-propyl-amino]carbamoyl]-4-phenylmethoxy-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-oxidanyl-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-[[[(1S)-1-(1-naphthyl)ethyl]carbamoyl-propyl-amino]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-butyl]-hydroxy-amino]-5-oxo-pentanoic acid CAS Name: (4R)-4-[[(2S)-2-acetamido-4-hydroxy-1,4-dioxobutyl]amino]-5-[hydroxy-[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-2-[[2-[[[(1S)-1-(1-naphthalenyl)ethyl]amino]-oxomethyl]-2-propylhydrazinyl]-oxomethyl]-4-phenylmethoxy-1-pyrrolidinyl]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4R)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[hydroxy-[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-2-[[[(1S)-1-naphthalen-1-ylethyl]carbamoyl-propylamino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-1-oxobutan-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-[[[(1S)-1-(1-naphthyl)ethyl]carbamoyl-propyl-amino]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-butyl]-hydroxy-amino]-5-keto-valeric acid Formula: C50H68N8O13 MolecularWeight: 989.12072

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)NC(C)C1=CC=CC2=CC=CC=C21)NC(=O)C3CC(CN3C(=O)C(C(C)C)NC(=O)C(C(C)CC)N(C(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C)O)OCC4=CC=CC=C4

Isomeric SMILES

CCCN(C(=O)N[C@@H](C)C1=CC=CC2=CC=CC=C21)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)N(C(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C)O)OCC4=CC=CC=C4

InChI

InChI=1S/C50H68N8O13/c1-8-24-57(50(69)51-31(6)36-21-15-19-34-18-13-14-20-37(34)36)55-46(65)40-25-35(71-28-33-16-11-10-12-17-33)27-56(40)49(68)43(29(3)4)54-47(66)44(30(5)9-2)58(70)48(67)38(22-23-41(60)61)53-45(64)39(26-42(62)63)52-32(7)59/h10-21,29-31,35,38-40,43-44,70H,8-9,22-28H2,1-7H3,(H,51,69)(H,52,59)(H,53,64)(H,54,66)(H,55,65)(H,60,61)(H,62,63)/t30-,31-,35+,38+,39-,40-,43-,44-/m0/s1