2-[[2-[(4-carbamimidoylmorpholin-2-yl)methylcarbamoyl]-3-naphthalen-2-ylsulfonyl-1-propanoyl-cyclopropyl]amino]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C(C1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NCC4CN(CCO4)C(=N)N)NCC(=O)O

Isomeric SMILES

CCC(=O)C1(C(C1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NCC4CN(CCO4)C(=N)N)NCC(=O)O

InChI

InChI=1S/C25H31N5O7S/c1-2-19(31)25(29-13-20(32)33)21(23(34)28-12-17-14-30(24(26)27)9-10-37-17)22(25)38(35,36)18-8-7-15-5-3-4-6-16(15)11-18/h3-8,11,17,21-22,29H,2,9-10,12-14H2,1H3,(H3,26,27)(H,28,34)(H,32,33)