N-[2-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-3-phenyl-propanamide hydrate hydrochloride

Systemtic Name: N-[2-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-3-phenyl-propanamide hydrate hydrochloride Openeye Name: N-[2-[(1-formyl-4-guanidino-butyl)amino]-2-oxo-ethyl]-3-phenyl-propanamide hydrate hydrochloride CAS Name: N-[2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide hydrate hydrochloride IUPAC Name: N-[2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide hydrate hydrochloride Traditional Name: N-[2-[(1-formyl-4-guanidino-butyl)amino]-2-keto-ethyl]-3-phenyl-propionamide hydrate hydrochloride Formula: C17H28ClN5O4 MolecularWeight: 401.88832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NCC(=O)NC(CCCN=C(N)N)C=O.O.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NCC(=O)NC(CCCN=C(N)N)C=O.O.Cl

InChI

InChI=1S/C17H25N5O3.ClH.H2O/c18-17(19)20-10-4-7-14(12-23)22-16(25)11-21-15(24)9-8-13-5-2-1-3-6-13;;/h1-3,5-6,12,14H,4,7-11H2,(H,21,24)(H,22,25)(H4,18,19,20);1H;1H2