tert-butyl (2S)-1-[(2R,3S)-3-[[(2S)-4-azanyl-2-(naphthalen-2-ylcarbonylamino)-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[(2R,3S)-3-[[(2S)-4-azanyl-2-(naphthalen-2-ylcarbonylamino)-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[(2R,3S)-3-[[(2S)-4-amino-2-(naphthalene-2-carbonylamino)-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R,3S)-3-[[(2S)-4-amino-2-[[2-naphthalenyl(oxo)methyl]amino]-1,4-dioxobutyl]amino]-2-hydroxy-4-phenylbutyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[(2R,3S)-3-[[(2S)-4-amino-2-(naphthalene-2-carbonylamino)-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R,3S)-3-[[(2S)-4-amino-4-keto-2-(2-naphthoylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C34H42N4O6 MolecularWeight: 602.72048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1CC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=CC4=CC=CC=C4C=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)C3=CC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C34H42N4O6/c1-34(2,3)44-33(43)28-14-9-17-38(28)21-29(39)26(18-22-10-5-4-6-11-22)36-32(42)27(20-30(35)40)37-31(41)25-16-15-23-12-7-8-13-24(23)19-25/h4-8,10-13,15-16,19,26-29,39H,9,14,17-18,20-21H2,1-3H3,(H2,35,40)(H,36,42)(H,37,41)/t26-,27-,28-,29+/m0/s1