(2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-2-[(phenylmethyl)sulfonylamino]-3-(pyridin-4-ylamino)propanamide

Systemtic Name: (2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-2-[(phenylmethyl)sulfonylamino]-3-(pyridin-4-ylamino)propanamide Openeye Name: (2R)-2-(benzylsulfonylamino)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-3-(4-pyridylamino)propanamide CAS Name: (2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-2-[(phenylmethyl)sulfonylamino]-3-(pyridin-4-ylamino)propanamide IUPAC Name: (2R)-2-(benzylsulfonylamino)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-3-(pyridin-4-ylamino)propanamide Traditional Name: (2R)-N-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-2-(benzylsulfonylamino)-3-(4-pyridylamino)propionamide Formula: C25H29N7O4S MolecularWeight: 523.60726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC(CNC2=CC=NC=C2)C(=O)NCC(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)N[C@H](CNC2=CC=NC=C2)C(=O)NCC(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H29N7O4S/c26-24(27)20-8-6-18(7-9-20)14-30-23(33)16-31-25(34)22(15-29-21-10-12-28-13-11-21)32-37(35,36)17-19-4-2-1-3-5-19/h1-13,22,32H,14-17H2,(H3,26,27)(H,28,29)(H,30,33)(H,31,34)/t22-/m1/s1