ethyl 3-[[(3S)-3-[(4-cyanophenyl)carbamoylamino]-3-pyridin-3-yl-propanoyl]amino]propanoate

Systemtic Name: ethyl 3-[[(3S)-3-[(4-cyanophenyl)carbamoylamino]-3-pyridin-3-yl-propanoyl]amino]propanoate Openeye Name: ethyl 3-[[(3S)-3-[(4-cyanophenyl)carbamoylamino]-3-(3-pyridyl)propanoyl]amino]propanoate CAS Name: 3-[[(3S)-3-[[(4-cyanoanilino)-oxomethyl]amino]-1-oxo-3-(3-pyridinyl)propyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(3S)-3-[(4-cyanophenyl)carbamoylamino]-3-pyridin-3-ylpropanoyl]amino]propanoate Traditional Name: 3-[[(3S)-3-[(4-cyanophenyl)carbamoylamino]-3-(3-pyridyl)propanoyl]amino]propionic acid ethyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)CC(C1=CN=CC=C1)NC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)CCNC(=O)C[C@@H](C1=CN=CC=C1)NC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H23N5O4/c1-2-30-20(28)9-11-24-19(27)12-18(16-4-3-10-23-14-16)26-21(29)25-17-7-5-15(13-22)6-8-17/h3-8,10,14,18H,2,9,11-12H2,1H3,(H,24,27)(H2,25,26,29)/t18-/m0/s1