2-[[1,5-bis(cyclopropylmethyl)-2,4-bis(oxidanylidene)-1,5-benzodiazepin-3-yl]amino]-2-[2-[3,5-bis(fluoranyl)phenyl]ethanoyl-thiophen-2-yl-amino]ethanoic acid

Systemtic Name: 2-[[1,5-bis(cyclopropylmethyl)-2,4-bis(oxidanylidene)-1,5-benzodiazepin-3-yl]amino]-2-[2-[3,5-bis(fluoranyl)phenyl]ethanoyl-thiophen-2-yl-amino]ethanoic acid Openeye Name: 2-[[1,5-bis(cyclopropylmethyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]amino]-2-[[2-(3,5-difluorophenyl)acetyl]-(2-thienyl)amino]acetic acid CAS Name: 2-[[1,5-bis(cyclopropylmethyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]amino]-2-[[2-(3,5-difluorophenyl)-1-oxoethyl]-thiophen-2-ylamino]acetic acid IUPAC Name: 2-[[1,5-bis(cyclopropylmethyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]amino]-2-[[2-(3,5-difluorophenyl)acetyl]-thiophen-2-ylamino]acetic acid Traditional Name: 2-[[1,5-bis(cyclopropylmethyl)-2,4-diketo-1,5-benzodiazepin-3-yl]amino]-2-[[2-(3,5-difluorophenyl)acetyl]-(2-thienyl)amino]acetic acid Formula: C31H30F2N4O5S MolecularWeight: 608.655506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=CC=CC=C3N(C(=O)C(C2=O)NC(C(=O)O)N(C4=CC=CS4)C(=O)CC5=CC(=CC(=C5)F)F)CC6CC6

Isomeric SMILES

C1CC1CN2C3=CC=CC=C3N(C(=O)C(C2=O)NC(C(=O)O)N(C4=CC=CS4)C(=O)CC5=CC(=CC(=C5)F)F)CC6CC6

InChI

InChI=1S/C31H30F2N4O5S/c32-21-12-20(13-22(33)15-21)14-25(38)37(26-6-3-11-43-26)28(31(41)42)34-27-29(39)35(16-18-7-8-18)23-4-1-2-5-24(23)36(30(27)40)17-19-9-10-19/h1-6,11-13,15,18-19,27-28,34H,7-10,14,16-17H2,(H,41,42)