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

Systemtic Name: N-[(2S)-1-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-1-[[2-[[(1S)-4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]benzamide CAS Name: N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1S)-1-[[2-[[(1S)-4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]benzamide Formula: C26H34N8O6 MolecularWeight: 554.59816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N8O6/c1-16(2)22(33-23(36)17-7-4-3-5-8-17)25(38)30-15-21(35)32-20(9-6-14-29-26(27)28)24(37)31-18-10-12-19(13-11-18)34(39)40/h3-5,7-8,10-13,16,20,22H,6,9,14-15H2,1-2H3,(H,30,38)(H,31,37)(H,32,35)(H,33,36)(H4,27,28,29)/t20-,22-/m0/s1