(phenylmethyl) (2S)-2-[[(2S)-5-(aminocarbonylamino)-2-[(4-nitrophenyl)amino]pentanoyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-5-(aminocarbonylamino)-2-[(4-nitrophenyl)amino]pentanoyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[(2S)-2-(4-nitroanilino)-5-ureido-pentanoyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(2S)-5-(carbamoylamino)-2-(4-nitroanilino)-1-oxopentyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-5-(carbamoylamino)-2-(4-nitroanilino)pentanoyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(2S)-2-(4-nitroanilino)-5-ureido-pentanoyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C25H30N6O7 MolecularWeight: 526.5417

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(=O)C(CCCNC(=O)N)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(=O)[C@H](CCCNC(=O)N)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H30N6O7/c26-24(34)27-14-4-8-20(28-18-10-12-19(13-11-18)31(36)37)22(32)29-23(33)21-9-5-15-30(21)25(35)38-16-17-6-2-1-3-7-17/h1-3,6-7,10-13,20-21,28H,4-5,8-9,14-16H2,(H3,26,27,34)(H,29,32,33)/t20-,21-/m0/s1