3-[8-(3-methylbutyl)-1-[(1-methylindol-3-yl)methyl]-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoic acid

Systemtic Name: 3-[8-(3-methylbutyl)-1-[(1-methylindol-3-yl)methyl]-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoic acid Openeye Name: 3-[8-isopentyl-1-[(1-methylindol-3-yl)methyl]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid CAS Name: 3-[8-(3-methylbutyl)-1-[(1-methyl-3-indolyl)methyl]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid IUPAC Name: 3-[8-(3-methylbutyl)-1-[(1-methylindol-3-yl)methyl]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid Traditional Name: 3-[8-isoamyl-2,5-diketo-1-[(1-methylindol-3-yl)methyl]-3H-1,4-benzodiazepin-4-yl]propionic acid Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC2=C(C=C1)C(=O)N(CC(=O)N2CC3=CN(C4=CC=CC=C43)C)CCC(=O)O

Isomeric SMILES

CC(C)CCC1=CC2=C(C=C1)C(=O)N(CC(=O)N2CC3=CN(C4=CC=CC=C43)C)CCC(=O)O

InChI

InChI=1S/C27H31N3O4/c1-18(2)8-9-19-10-11-22-24(14-19)30(25(31)17-29(27(22)34)13-12-26(32)33)16-20-15-28(3)23-7-5-4-6-21(20)23/h4-7,10-11,14-15,18H,8-9,12-13,16-17H2,1-3H3,(H,32,33)