(3S)-3-[[(2S)-2-[[[[(2S)-1-[(2S)-2-acetamido-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-(phenylmethyl)carbamoyl]amino]-3-phenyl-propanoyl]amino]-4-azanyl-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[[[[(2S)-1-[(2S)-2-acetamido-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-(phenylmethyl)carbamoyl]amino]-3-phenyl-propanoyl]amino]-4-azanyl-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[[[(2S)-1-[(2S)-2-acetamido-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-benzyl-carbamoyl]amino]-3-phenyl-propanoyl]amino]-4-amino-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[[[[[[(2S)-1-[(2S)-2-acetamido-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-(phenylmethyl)amino]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-amino-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[[[(2S)-1-[(2S)-2-acetamido-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-benzylcarbamoyl]amino]-3-phenylpropanoyl]amino]-4-amino-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[[[(2S)-1-[(2S)-2-acetamido-4-methyl-pentanoyl]prolyl]amino]-benzyl-carbamoyl]amino]-3-phenyl-propanoyl]amino]-4-amino-4-keto-butyric acid Formula: C34H45N7O8 MolecularWeight: 679.7632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NN(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(=O)O)C(=O)N)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)NN(CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(=O)O)C(=O)N)NC(=O)C

InChI

InChI=1S/C34H45N7O8/c1-21(2)17-27(36-22(3)42)33(48)40-16-10-15-28(40)32(47)39-41(20-24-13-8-5-9-14-24)34(49)38-26(18-23-11-6-4-7-12-23)31(46)37-25(30(35)45)19-29(43)44/h4-9,11-14,21,25-28H,10,15-20H2,1-3H3,(H2,35,45)(H,36,42)(H,37,46)(H,38,49)(H,39,47)(H,43,44)/t25-,26-,27-,28-/m0/s1