N-[1-[(4-carbamimidoylphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-oxidanyl-2-(propoxyamino)butanamide

Systemtic Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-oxidanyl-2-(propoxyamino)butanamide Openeye Name: N-[1-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-3-hydroxy-2-(propoxyamino)butanamide CAS Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-3-hydroxy-2-(propoxyamino)butanamide IUPAC Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-hydroxy-2-(propoxyamino)butanamide Traditional Name: N-[1-[(4-amidinobenzyl)carbamoyl]-3-(methylthio)propyl]-3-hydroxy-2-(propoxyamino)butyramide Formula: C20H33N5O4S MolecularWeight: 439.57212

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Descriptors Computed from Structure

Canonical SMILES:

CCCONC(C(C)O)C(=O)NC(CCSC)C(=O)NCC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CCCONC(C(C)O)C(=O)NC(CCSC)C(=O)NCC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C20H33N5O4S/c1-4-10-29-25-17(13(2)26)20(28)24-16(9-11-30-3)19(27)23-12-14-5-7-15(8-6-14)18(21)22/h5-8,13,16-17,25-26H,4,9-12H2,1-3H3,(H3,21,22)(H,23,27)(H,24,28)