(phenylmethyl) N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-4-guanidino-1-(phenylcarbamoyl)butyl]carbamate CAS Name: N-[(2S)-1-anilino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-anilino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-4-guanidino-1-(phenylcarbamoyl)butyl]carbamic acid benzyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H25N5O3/c21-19(22)23-13-7-12-17(18(26)24-16-10-5-2-6-11-16)25-20(27)28-14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2,(H,24,26)(H,25,27)(H4,21,22,23)/t17-/m0/s1