(2S)-3-[4-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]-2-[[1-[2-[2-(methoxycarbonylamino)ethanoylamino]ethyl]cyclopentyl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-[4-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]-2-[[1-[2-[2-(methoxycarbonylamino)ethanoylamino]ethyl]cyclopentyl]carbonylamino]propanoic acid Openeye Name: (2S)-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[1-[2-[[2-(methoxycarbonylamino)acetyl]amino]ethyl]cyclopentanecarbonyl]amino]propanoic acid CAS Name: (2S)-3-[4-[[(2,6-dichlorophenyl)-oxomethyl]amino]phenyl]-2-[[[1-[2-[[2-(methoxycarbonylamino)-1-oxoethyl]amino]ethyl]cyclopentyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[1-[2-[[2-(methoxycarbonylamino)acetyl]amino]ethyl]cyclopentanecarbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[1-[2-[[2-(carbomethoxyamino)acetyl]amino]ethyl]cyclopentanecarbonyl]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propionic acid Formula: C28H32Cl2N4O7 MolecularWeight: 607.48228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NCC(=O)NCCC1(CCCC1)C(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)C(=O)O

Isomeric SMILES

COC(=O)NCC(=O)NCCC1(CCCC1)C(=O)N[C@@H](CC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)C(=O)O

InChI

InChI=1S/C28H32Cl2N4O7/c1-41-27(40)32-16-22(35)31-14-13-28(11-2-3-12-28)26(39)34-21(25(37)38)15-17-7-9-18(10-8-17)33-24(36)23-19(29)5-4-6-20(23)30/h4-10,21H,2-3,11-16H2,1H3,(H,31,35)(H,32,40)(H,33,36)(H,34,39)(H,37,38)/t21-/m0/s1