N-[(3S,6R)-7-[[(2S)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-methyl-4,7-bis(oxidanylidene)-6-(phenylmethyl)heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(3S,6R)-7-[[(2S)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-methyl-4,7-bis(oxidanylidene)-6-(phenylmethyl)heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(1S,4R)-4-benzyl-5-[[(1S)-1-benzyl-2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]amino]-1-isopropyl-2,5-dioxo-pentyl]-5-methyl-isoxazole-3-carboxamide CAS Name: N-[(3S,6R)-7-[[(2S)-1-(2-chloro-4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-4,7-dioxo-6-(phenylmethyl)heptan-3-yl]-5-methyl-3-isoxazolecarboxamide IUPAC Name: N-[(3S,6R)-6-benzyl-7-[[(2S)-1-(2-chloro-4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(1S,4R)-4-benzyl-5-[[(1S)-1-benzyl-2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]amino]-1-isopropyl-2,5-diketo-pentyl]-5-methyl-isoxazole-3-carboxamide Formula: C35H36ClN5O7 MolecularWeight: 674.14264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NC(C(C)C)C(=O)CC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=NO1)C(=O)N[C@@H](C(C)C)C(=O)C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C35H36ClN5O7/c1-21(2)32(39-35(45)30-16-22(3)48-40-30)31(42)19-25(17-23-10-6-4-7-11-23)33(43)38-29(18-24-12-8-5-9-13-24)34(44)37-28-15-14-26(41(46)47)20-27(28)36/h4-16,20-21,25,29,32H,17-19H2,1-3H3,(H,37,44)(H,38,43)(H,39,45)/t25-,29+,32+/m1/s1