carbamimidoyl 2-[[4-azanyl-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-(2-oxidanylidene-2-piperidin-3-yloxy-ethyl)amino]-2-phenyl-propanoate

Systemtic Name: carbamimidoyl 2-[[4-azanyl-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-(2-oxidanylidene-2-piperidin-3-yloxy-ethyl)amino]-2-phenyl-propanoate Openeye Name: carbamimidoyl 2-[[4-amino-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]-[2-oxo-2-(3-piperidyloxy)ethyl]amino]-2-phenyl-propanoate CAS Name: 2-[[4-amino-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-[2-oxo-2-(3-piperidinyloxy)ethyl]amino]-2-phenylpropanoic acid carbamimidoyl ester IUPAC Name: carbamimidoyl 2-[[4-amino-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]-(2-oxo-2-piperidin-3-yloxyethyl)amino]-2-phenylpropanoate Traditional Name: 2-[[4-amino-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-[2-keto-2-(3-piperidyloxy)ethyl]amino]-2-phenyl-propionic acid amidino ester Formula: C31H36N6O8S MolecularWeight: 652.71794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(=O)OC(=N)N)N(CC(=O)OC2CCCNC2)C(=O)C(CC(=O)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C1=CC=CC=C1)(C(=O)OC(=N)N)N(CC(=O)OC2CCCNC2)C(=O)C(CC(=O)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C31H36N6O8S/c1-31(29(41)45-30(33)34,22-10-3-2-4-11-22)37(19-27(39)44-23-12-7-15-35-18-23)28(40)25(17-26(32)38)36-46(42,43)24-14-13-20-8-5-6-9-21(20)16-24/h2-6,8-11,13-14,16,23,25,35-36H,7,12,15,17-19H2,1H3,(H2,32,38)(H3,33,34)