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

Systemtic Name: (phenylmethyl) N-[N'-[5-azanyl-5-[4-[(1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]-1,3-thiazol-2-yl]pentyl]carbamimidoyl]carbamate Openeye Name: benzyl N-[N'-[5-amino-5-[4-[(1-carbamoyl-2-hydroxy-propyl)carbamoyl]thiazol-2-yl]pentyl]carbamimidoyl]carbamate CAS Name: N-[amino-[5-amino-5-[4-[[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-oxomethyl]-2-thiazolyl]pentyl]iminomethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[N'-[5-amino-5-[4-[(1-amino-3-hydroxy-1-oxobutan-2-yl)carbamoyl]-1,3-thiazol-2-yl]pentyl]carbamimidoyl]carbamate Traditional Name: N-[N'-[5-amino-5-[4-[(1-carbamoyl-2-hydroxy-propyl)carbamoyl]thiazol-2-yl]pentyl]amidino]carbamic acid benzyl ester Formula: C22H31N7O5S MolecularWeight: 505.59044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N)NC(=O)C1=CSC(=N1)C(CCCCN=C(N)NC(=O)OCC2=CC=CC=C2)N)O

Isomeric SMILES

CC(C(C(=O)N)NC(=O)C1=CSC(=N1)C(CCCCN=C(N)NC(=O)OCC2=CC=CC=C2)N)O

InChI

InChI=1S/C22H31N7O5S/c1-13(30)17(18(24)31)28-19(32)16-12-35-20(27-16)15(23)9-5-6-10-26-21(25)29-22(33)34-11-14-7-3-2-4-8-14/h2-4,7-8,12-13,15,17,30H,5-6,9-11,23H2,1H3,(H2,24,31)(H,28,32)(H3,25,26,29,33)