N-[(2S)-5-[bis(azanyl)methylideneamino]-1-[2,3-bis(oxidanyl)propylamino]-1-oxidanylidene-pentan-2-yl]benzamide

Systemtic Name: N-[(2S)-5-[bis(azanyl)methylideneamino]-1-[2,3-bis(oxidanyl)propylamino]-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: N-[(1S)-1-(2,3-dihydroxypropylcarbamoyl)-4-guanidino-butyl]benzamide CAS Name: N-[(2S)-5-(diaminomethylideneamino)-1-(2,3-dihydroxypropylamino)-1-oxopentan-2-yl]benzamide IUPAC Name: N-[(2S)-5-(diaminomethylideneamino)-1-(2,3-dihydroxypropylamino)-1-oxopentan-2-yl]benzamide Traditional Name: N-[(1S)-1-(glycerylcarbamoyl)-4-guanidino-butyl]benzamide Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NCC(CO)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(CO)O

InChI

InChI=1S/C16H25N5O4/c17-16(18)19-8-4-7-13(15(25)20-9-12(23)10-22)21-14(24)11-5-2-1-3-6-11/h1-3,5-6,12-13,22-23H,4,7-10H2,(H,20,25)(H,21,24)(H4,17,18,19)/t12?,13-/m0/s1