(phenylmethyl) N-[(2S)-1-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[(4-nitrophenyl)amino]pentanoyl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[(4-nitrophenyl)amino]pentanoyl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[2-[[(2S)-5-guanidino-2-(4-nitroanilino)pentanoyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)-1-oxopentyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[2-[[(2S)-5-guanidino-2-(4-nitroanilino)pentanoyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C27H36N8O7 MolecularWeight: 584.62414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)NC(=O)C(CCCN=C(N)N)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(=O)NC(=O)[C@H](CCCN=C(N)N)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H36N8O7/c1-17(2)23(34-27(39)42-16-18-7-4-3-5-8-18)25(38)31-15-22(36)33-24(37)21(9-6-14-30-26(28)29)32-19-10-12-20(13-11-19)35(40)41/h3-5,7-8,10-13,17,21,23,32H,6,9,14-16H2,1-2H3,(H,31,38)(H,34,39)(H4,28,29,30)(H,33,36,37)/t21-,23-/m0/s1