[[2-[(4-carbamimidoylmorpholin-2-yl)methylcarbamoyl]-3-naphthalen-2-ylsulfonyl-cyclopropyl]-propanoyl-amino] ethanoate

Systemtic Name: [[2-[(4-carbamimidoylmorpholin-2-yl)methylcarbamoyl]-3-naphthalen-2-ylsulfonyl-cyclopropyl]-propanoyl-amino] ethanoate Openeye Name: [[2-[(4-carbamimidoylmorpholin-2-yl)methylcarbamoyl]-3-(2-naphthylsulfonyl)cyclopropyl]-propanoyl-amino] acetate CAS Name: acetic acid [[2-[[(4-carbamimidoyl-2-morpholinyl)methylamino]-oxomethyl]-3-(2-naphthalenylsulfonyl)cyclopropyl]-(1-oxopropyl)amino] ester IUPAC Name: [[2-[(4-carbamimidoylmorpholin-2-yl)methylcarbamoyl]-3-naphthalen-2-ylsulfonylcyclopropyl]-propanoylamino] acetate Traditional Name: acetic acid [[2-[(4-amidinomorpholin-2-yl)methylcarbamoyl]-3-(2-naphthylsulfonyl)cyclopropyl]-propionyl-amino] ester Formula: C25H31N5O7S MolecularWeight: 545.60794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1C(C1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NCC4CN(CCO4)C(=N)N)OC(=O)C

Isomeric SMILES

CCC(=O)N(C1C(C1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NCC4CN(CCO4)C(=N)N)OC(=O)C

InChI

InChI=1S/C25H31N5O7S/c1-3-20(32)30(37-15(2)31)22-21(24(33)28-13-18-14-29(25(26)27)10-11-36-18)23(22)38(34,35)19-9-8-16-6-4-5-7-17(16)12-19/h4-9,12,18,21-23H,3,10-11,13-14H2,1-2H3,(H3,26,27)(H,28,33)