N-[(3S)-1-carbamimidoyl-2-ethoxy-piperidin-3-yl]-3-[(3S)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]azepan-1-yl]propanamide

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-ethoxy-piperidin-3-yl]-3-[(3S)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]azepan-1-yl]propanamide Openeye Name: 3-[(3S)-3-(benzylsulfonylamino)-2-oxo-azepan-1-yl]-N-[(3S)-1-carbamimidoyl-2-ethoxy-3-piperidyl]propanamide CAS Name: N-[(3S)-1-carbamimidoyl-2-ethoxy-3-piperidinyl]-3-[(3S)-2-oxo-3-[(phenylmethyl)sulfonylamino]-1-azepanyl]propanamide IUPAC Name: 3-[(3S)-3-(benzylsulfonylamino)-2-oxoazepan-1-yl]-N-[(3S)-1-carbamimidoyl-2-ethoxypiperidin-3-yl]propanamide Traditional Name: N-[(3S)-1-amidino-2-ethoxy-3-piperidyl]-3-[(3S)-3-(benzylsulfonylamino)-2-keto-azepan-1-yl]propionamide Formula: C24H38N6O5S MolecularWeight: 522.66072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(CCCN1C(=N)N)NC(=O)CCN2CCCCC(C2=O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC1[C@H](CCCN1C(=N)N)NC(=O)CCN2CCCC[C@@H](C2=O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H38N6O5S/c1-2-35-23-20(12-8-15-30(23)24(25)26)27-21(31)13-16-29-14-7-6-11-19(22(29)32)28-36(33,34)17-18-9-4-3-5-10-18/h3-5,9-10,19-20,23,28H,2,6-8,11-17H2,1H3,(H3,25,26)(H,27,31)/t19-,20-,23?/m0/s1