tert-butyl N-[(2R)-1-[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]carbamoyl]piperidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]carbamoyl]piperidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-benzyl-2-[(2S)-2-[[(1S)-4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl]-1-piperidyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-[(2S)-2-[[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-oxomethyl]-1-piperidinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1R)-1-benzyl-2-[(2S)-2-[[(1S)-4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl]piperidino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C32H44N8O7 MolecularWeight: 652.74116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCCC2C(=O)NC(CCCN=C(N)N)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C32H44N8O7/c1-32(2,3)47-31(44)38-25(20-21-10-5-4-6-11-21)29(43)39-19-8-7-13-26(39)28(42)37-24(12-9-18-35-30(33)34)27(41)36-22-14-16-23(17-15-22)40(45)46/h4-6,10-11,14-17,24-26H,7-9,12-13,18-20H2,1-3H3,(H,36,41)(H,37,42)(H,38,44)(H4,33,34,35)/t24-,25+,26-/m0/s1