N-[2-(3-azanylpropanoylamino)ethanoyl]-N-[5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]benzamide

Systemtic Name: N-[2-(3-azanylpropanoylamino)ethanoyl]-N-[5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: N-[2-(3-aminopropanoylamino)acetyl]-N-[4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]benzamide CAS Name: N-[2-[(3-amino-1-oxopropyl)amino]-1-oxoethyl]-N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide IUPAC Name: N-[2-(3-aminopropanoylamino)acetyl]-N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide Traditional Name: N-[2-(3-aminopropanoylamino)acetyl]-N-[4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]benzamide Formula: C24H30N8O6 MolecularWeight: 526.545

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(C(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CNC(=O)CCN

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(C(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CNC(=O)CCN

InChI

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