methyl 2-[[4-[3-(3-methylindol-1-yl)propanoylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[4-[3-(3-methylindol-1-yl)propanoylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[[4-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carbonyl]amino]propanoate CAS Name: 3-hydroxy-2-[[[4-[[3-(3-methyl-1-indolyl)-1-oxopropyl]amino]-4-piperidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[4-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carbonyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[4-[3-(3-methylindol-1-yl)propanoylamino]isonipecotoyl]amino]propionic acid methyl ester Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=CC=CC=C12)CCC(=O)NC3(CCNCC3)C(=O)NC(CO)C(=O)OC

Isomeric SMILES

CC1=CN(C2=CC=CC=C12)CCC(=O)NC3(CCNCC3)C(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C22H30N4O5/c1-15-13-26(18-6-4-3-5-16(15)18)12-7-19(28)25-22(8-10-23-11-9-22)21(30)24-17(14-27)20(29)31-2/h3-6,13,17,23,27H,7-12,14H2,1-2H3,(H,24,30)(H,25,28)