2-azanyl-N-[1-(2-ethanoyl-3-phenyl-phenyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide; 2-azanylpropanoic acid

Systemtic Name: 2-azanyl-N-[1-(2-ethanoyl-3-phenyl-phenyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide; 2-azanylpropanoic acid Openeye Name: N-[1-(2-acetyl-3-phenyl-phenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-amino-N-methyl-3-sulfanyl-propanamide; 2-aminopropanoic acid CAS Name: N-[1-(2-acetyl-3-phenylphenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-amino-3-mercapto-N-methylpropanamide; 2-aminopropanoic acid IUPAC Name: N-[1-(2-acetyl-3-phenylphenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-amino-N-methyl-3-sulfanylpropanamide; 2-aminopropanoic acid Traditional Name: N-[1-(2-acetyl-3-phenyl-phenyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-amino-3-mercapto-N-methyl-propionamide; 2-aminopropionic acid Formula: C36H37N5O5S MolecularWeight: 651.77448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N.CC(=O)C1=C(C=CC=C1N2C3=CC=CC=C3C(=NC(C2=O)N(C)C(=O)C(CS)N)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)O)N.CC(=O)C1=C(C=CC=C1N2C3=CC=CC=C3C(=NC(C2=O)N(C)C(=O)C(CS)N)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H30N4O3S.C3H7NO2/c1-21(38)29-24(22-12-5-3-6-13-22)17-11-19-28(29)37-27-18-10-9-16-25(27)30(23-14-7-4-8-15-23)35-31(33(37)40)36(2)32(39)26(34)20-41;1-2(4)3(5)6/h3-19,26,31,41H,20,34H2,1-2H3;2H,4H2,1H3,(H,5,6)