3-[[3-oxidanylidene-4-[6-[[N'-(pyridin-3-ylmethyl)carbamimidoyl]amino]-2,3-dihydroindol-1-yl]butanoyl]amino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-oxidanylidene-4-[6-[[N'-(pyridin-3-ylmethyl)carbamimidoyl]amino]-2,3-dihydroindol-1-yl]butanoyl]amino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-oxo-4-[6-[[N'-(3-pyridylmethyl)carbamimidoyl]amino]indolin-1-yl]butanoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[4-[6-[[amino(3-pyridinylmethylimino)methyl]amino]-2,3-dihydroindol-1-yl]-1,3-dioxobutyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-oxo-4-[6-[[N'-(pyridin-3-ylmethyl)carbamimidoyl]amino]-2,3-dihydroindol-1-yl]butanoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-keto-4-[6-[[N'-(3-pyridylmethyl)amidino]amino]indolin-1-yl]butanoyl]amino]-3-(3-pyridyl)propionic acid Formula: C27H29N7O4 MolecularWeight: 515.56366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=CC(=C2)NC(=NCC3=CN=CC=C3)N)CC(=O)CC(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1CN(C2=C1C=CC(=C2)NC(=NCC3=CN=CC=C3)N)CC(=O)CC(=O)NC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C27H29N7O4/c28-27(31-15-18-3-1-8-29-14-18)32-21-6-5-19-7-10-34(24(19)11-21)17-22(35)12-25(36)33-23(13-26(37)38)20-4-2-9-30-16-20/h1-6,8-9,11,14,16,23H,7,10,12-13,15,17H2,(H,33,36)(H,37,38)(H3,28,31,32)