4-azanyl-7-[bis(azanyl)methylideneamino]-3-oxidanylidene-2-(phenethylamino)heptanoic acid

Systemtic Name: 4-azanyl-7-[bis(azanyl)methylideneamino]-3-oxidanylidene-2-(phenethylamino)heptanoic acid Openeye Name: 4-amino-7-guanidino-3-oxo-2-(phenethylamino)heptanoic acid CAS Name: 4-amino-7-(diaminomethylideneamino)-3-oxo-2-(phenethylamino)heptanoic acid IUPAC Name: 4-amino-7-(diaminomethylideneamino)-3-oxo-2-(phenethylamino)heptanoic acid Traditional Name: 4-amino-7-guanidino-3-keto-2-(phenethylamino)enanthic acid Formula: C16H25N5O3 MolecularWeight: 335.4014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(C(=O)C(CCCN=C(N)N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(C(=O)C(CCCN=C(N)N)N)C(=O)O

InChI

InChI=1S/C16H25N5O3/c17-12(7-4-9-21-16(18)19)14(22)13(15(23)24)20-10-8-11-5-2-1-3-6-11/h1-3,5-6,12-13,20H,4,7-10,17H2,(H,23,24)(H4,18,19,21)