(phenylmethyl) N-[(2S)-6-azanyl-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-6-azanyl-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-hexan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-5-amino-1-(1,3-benzothiazole-2-carbonyl)pentyl]carbamate CAS Name: N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]carbamate Traditional Name: N-[(1S)-5-amino-1-(1,3-benzothiazole-2-carbonyl)pentyl]carbamic acid benzyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCN)C(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCCN)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O3S/c22-13-7-6-11-17(24-21(26)27-14-15-8-2-1-3-9-15)19(25)20-23-16-10-4-5-12-18(16)28-20/h1-5,8-10,12,17H,6-7,11,13-14,22H2,(H,24,26)/t17-/m0/s1