(phenylmethyl) N-[N'-[(4S)-4-azanyl-5-oxidanyl-5-(1,3-thiazol-2-yl)pentyl]-N-phenylmethoxycarbonyl-carbamimidoyl]carbamate

Systemtic Name: (phenylmethyl) N-[N'-[(4S)-4-azanyl-5-oxidanyl-5-(1,3-thiazol-2-yl)pentyl]-N-phenylmethoxycarbonyl-carbamimidoyl]carbamate Openeye Name: benzyl N-[N'-[(4S)-4-amino-5-hydroxy-5-thiazol-2-yl-pentyl]-N-benzyloxycarbonyl-carbamimidoyl]carbamate CAS Name: N-[[(4S)-4-amino-5-hydroxy-5-(2-thiazolyl)pentyl]imino-(phenylmethoxycarbonylamino)methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[N'-[(4S)-4-amino-5-hydroxy-5-(1,3-thiazol-2-yl)pentyl]-N-phenylmethoxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[N'-[(4S)-4-amino-5-hydroxy-5-thiazol-2-yl-pentyl]-N-carbobenzoxy-amidino]carbamic acid benzyl ester Formula: C25H29N5O5S MolecularWeight: 511.59326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(=NCCCC(C(C2=NC=CS2)O)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(=NCCC[C@@H](C(C2=NC=CS2)O)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H29N5O5S/c26-20(21(31)22-27-14-15-36-22)12-7-13-28-23(29-24(32)34-16-18-8-3-1-4-9-18)30-25(33)35-17-19-10-5-2-6-11-19/h1-6,8-11,14-15,20-21,31H,7,12-13,16-17,26H2,(H2,28,29,30,32,33)/t20-,21?/m0/s1