methyl 2-[6-(aminocarbonylamino)hexanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[6-(aminocarbonylamino)hexanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-(6-ureidohexanoylamino)propanoate CAS Name: 2-[[6-(carbamoylamino)-1-oxohexyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[6-(carbamoylamino)hexanoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(6-ureidohexanoylamino)propionic acid methyl ester Formula: C19H26N4O4 MolecularWeight: 374.43414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCCCCNC(=O)N

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCCCCNC(=O)N

InChI

InChI=1S/C19H26N4O4/c1-27-18(25)16(11-13-12-22-15-8-5-4-7-14(13)15)23-17(24)9-3-2-6-10-21-19(20)26/h4-5,7-8,12,16,22H,2-3,6,9-11H2,1H3,(H,23,24)(H3,20,21,26)