[[4-[(4-carbamimidoylmorpholin-2-yl)methylamino]-2-naphthalen-2-ylsulfonyl-4-oxidanylidene-butanoyl]-cyclopropyl-amino] butanoate

Systemtic Name: [[4-[(4-carbamimidoylmorpholin-2-yl)methylamino]-2-naphthalen-2-ylsulfonyl-4-oxidanylidene-butanoyl]-cyclopropyl-amino] butanoate Openeye Name: [[4-[(4-carbamimidoylmorpholin-2-yl)methylamino]-2-(2-naphthylsulfonyl)-4-oxo-butanoyl]-cyclopropyl-amino] butanoate CAS Name: butanoic acid [[4-[(4-carbamimidoyl-2-morpholinyl)methylamino]-2-(2-naphthalenylsulfonyl)-1,4-dioxobutyl]-cyclopropylamino] ester IUPAC Name: [[4-[(4-carbamimidoylmorpholin-2-yl)methylamino]-2-naphthalen-2-ylsulfonyl-4-oxobutanoyl]-cyclopropylamino] butanoate Traditional Name: butyric acid [[4-[(4-amidinomorpholin-2-yl)methylamino]-4-keto-2-(2-naphthylsulfonyl)butanoyl]-cyclopropyl-amino] ester Formula: C27H35N5O7S MolecularWeight: 573.6611

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON(C1CC1)C(=O)C(CC(=O)NCC2CN(CCO2)C(=N)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCC(=O)ON(C1CC1)C(=O)C(CC(=O)NCC2CN(CCO2)C(=N)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H35N5O7S/c1-2-5-25(34)39-32(20-9-10-20)26(35)23(15-24(33)30-16-21-17-31(27(28)29)12-13-38-21)40(36,37)22-11-8-18-6-3-4-7-19(18)14-22/h3-4,6-8,11,14,20-21,23H,2,5,9-10,12-13,15-17H2,1H3,(H3,28,29)(H,30,33)