tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[(1S)-1-[[(1S)-1-benzyl-2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-[[(2S)-1-(2-chloro-4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(2-chloro-4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S)-1-[[(1S)-1-benzyl-2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C31H42ClN5O7 MolecularWeight: 632.14748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H42ClN5O7/c1-18(2)15-24(35-29(40)26(19(3)4)36-30(41)44-31(5,6)7)27(38)34-25(16-20-11-9-8-10-12-20)28(39)33-23-14-13-21(37(42)43)17-22(23)32/h8-14,17-19,24-26H,15-16H2,1-7H3,(H,33,39)(H,34,38)(H,35,40)(H,36,41)/t24-,25-,26-/m0/s1