5-methyl-3-[[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoyl]-2-prop-2-enyl-hexanoic acid

Systemtic Name: 5-methyl-3-[[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoyl]-2-prop-2-enyl-hexanoic acid Openeye Name: 2-allyl-5-methyl-3-[[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoyl]hexanoic acid CAS Name: 5-methyl-3-[oxo-[[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]amino]methyl]-2-prop-2-enylhexanoic acid IUPAC Name: 5-methyl-3-[[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoyl]-2-prop-2-enylhexanoic acid Traditional Name: 2-[1-[[2-keto-1-(3-phenoxybenzyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoyl]-3-methyl-butyl]pent-4-enoic acid Formula: C39H39N3O5 MolecularWeight: 629.74406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)O)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)O)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C39H39N3O5/c1-4-14-31(39(45)46)33(23-26(2)3)37(43)41-36-38(44)42(25-27-15-13-20-30(24-27)47-29-18-9-6-10-19-29)34-22-12-11-21-32(34)35(40-36)28-16-7-5-8-17-28/h4-13,15-22,24,26,31,33,36H,1,14,23,25H2,2-3H3,(H,41,43)(H,45,46)