2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-5-[bis(azanyl)methylideneamino]-N-(4-nitrophenyl)pentanamide

Systemtic Name: 2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-5-[bis(azanyl)methylideneamino]-N-(4-nitrophenyl)pentanamide Openeye Name: 2-[(2-amino-3-hydroxy-butanoyl)amino]-5-guanidino-N-(4-nitrophenyl)pentanamide CAS Name: 2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide IUPAC Name: 2-[(2-amino-3-hydroxybutanoyl)amino]-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide Traditional Name: 2-[(2-amino-3-hydroxy-butanoyl)amino]-5-guanidino-N-(4-nitrophenyl)valeramide Formula: C16H25N7O5 MolecularWeight: 395.4136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N7O5/c1-9(24)13(17)15(26)22-12(3-2-8-20-16(18)19)14(25)21-10-4-6-11(7-5-10)23(27)28/h4-7,9,12-13,24H,2-3,8,17H2,1H3,(H,21,25)(H,22,26)(H4,18,19,20)