N-[3-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]benzamide; ethanoic acid

Systemtic Name: N-[3-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]benzamide; ethanoic acid Openeye Name: acetic acid; N-[3-[[2-[[(1S)-4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]amino]-2-oxo-ethyl]amino]-3-oxo-propyl]benzamide CAS Name: acetic acid; N-[3-[[2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropyl]benzamide IUPAC Name: acetic acid; N-[3-[[2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropyl]benzamide Traditional Name: acetic acid; N-[3-[[2-[[(1S)-4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]amino]-2-keto-ethyl]amino]-3-keto-propyl]benzamide Formula: C26H34N8O8 MolecularWeight: 586.59696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)C(=O)NCCC(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)C(=O)NCCC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C24H30N8O6.C2H4O2/c25-24(26)28-13-4-7-19(23(36)30-17-8-10-18(11-9-17)32(37)38)31-21(34)15-29-20(33)12-14-27-22(35)16-5-2-1-3-6-16;1-2(3)4/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,27,35)(H,29,33)(H,30,36)(H,31,34)(H4,25,26,28);1H3,(H,3,4)/t19-;/m0./s1