3-(3,3-dimethylpiperidin-1-yl)-2-[2-[(3-methylphenyl)carbamoylamino]ethanoyl-phenyl-amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(3,3-dimethylpiperidin-1-yl)-2-[2-[(3-methylphenyl)carbamoylamino]ethanoyl-phenyl-amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-(3,3-dimethyl-1-piperidyl)-2-(N-[2-(m-tolylcarbamoylamino)acetyl]anilino)-3-oxo-propanoic acid CAS Name: 3-(3,3-dimethyl-1-piperidinyl)-2-(N-[2-[[(3-methylanilino)-oxomethyl]amino]-1-oxoethyl]anilino)-3-oxopropanoic acid IUPAC Name: 3-(3,3-dimethylpiperidin-1-yl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)-3-oxopropanoic acid Traditional Name: 3-(3,3-dimethylpiperidino)-3-keto-2-(N-[2-(m-tolylcarbamoylamino)acetyl]anilino)propionic acid Formula: C26H32N4O5 MolecularWeight: 480.55608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC(=O)N(C2=CC=CC=C2)C(C(=O)N3CCCC(C3)(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCC(=O)N(C2=CC=CC=C2)C(C(=O)N3CCCC(C3)(C)C)C(=O)O

InChI

InChI=1S/C26H32N4O5/c1-18-9-7-10-19(15-18)28-25(35)27-16-21(31)30(20-11-5-4-6-12-20)22(24(33)34)23(32)29-14-8-13-26(2,3)17-29/h4-7,9-12,15,22H,8,13-14,16-17H2,1-3H3,(H,33,34)(H2,27,28,35)