methyl (2R)-2-[[(2R)-4-(phenylcarbamoyl)-1-thiophen-2-ylcarbonyl-piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: methyl (2R)-2-[[(2R)-4-(phenylcarbamoyl)-1-thiophen-2-ylcarbonyl-piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (2R)-2-[[(2R)-4-(phenylcarbamoyl)-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: (2R)-2-[[[(2R)-4-[anilino(oxo)methyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-4-(phenylcarbamoyl)-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (2R)-2-[[(2R)-4-(phenylcarbamoyl)-1-(2-thenoyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C26H27N5O5S MolecularWeight: 521.58808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CC=C1)NC(=O)C2CN(CCN2C(=O)C3=CC=CS3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@H]2CN(CCN2C(=O)C3=CC=CS3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O5S/c1-36-25(34)20(15-18-7-5-11-27-16-18)29-23(32)21-17-30(26(35)28-19-8-3-2-4-9-19)12-13-31(21)24(33)22-10-6-14-37-22/h2-11,14,16,20-21H,12-13,15,17H2,1H3,(H,28,35)(H,29,32)/t20-,21-/m1/s1