(2R,3S)-2-(cyclopropylmethyl)-N-[(3R)-1-methyl-2-oxidanylidene-5-pyrrolidin-1-yl-3H-1,4-benzodiazepin-3-yl]-3-oxidanyl-heptanamide

Systemtic Name: (2R,3S)-2-(cyclopropylmethyl)-N-[(3R)-1-methyl-2-oxidanylidene-5-pyrrolidin-1-yl-3H-1,4-benzodiazepin-3-yl]-3-oxidanyl-heptanamide Openeye Name: (2R,3S)-2-(cyclopropylmethyl)-3-hydroxy-N-[(3R)-1-methyl-2-oxo-5-pyrrolidin-1-yl-3H-1,4-benzodiazepin-3-yl]heptanamide CAS Name: (2R,3S)-2-(cyclopropylmethyl)-3-hydroxy-N-[(3R)-1-methyl-2-oxo-5-(1-pyrrolidinyl)-3H-1,4-benzodiazepin-3-yl]heptanamide IUPAC Name: (2R,3S)-2-(cyclopropylmethyl)-3-hydroxy-N-[(3R)-1-methyl-2-oxo-5-pyrrolidin-1-yl-3H-1,4-benzodiazepin-3-yl]heptanamide Traditional Name: (2R,3S)-2-(cyclopropylmethyl)-3-hydroxy-N-[(3R)-2-keto-1-methyl-5-pyrrolidino-3H-1,4-benzodiazepin-3-yl]enanthamide Formula: C25H36N4O3 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1CC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCCC4)C)O

Isomeric SMILES

CCCC[C@@H]([C@@H](CC1CC1)C(=O)N[C@H]2C(=O)N(C3=CC=CC=C3C(=N2)N4CCCC4)C)O

InChI

InChI=1S/C25H36N4O3/c1-3-4-11-21(30)19(16-17-12-13-17)24(31)27-22-25(32)28(2)20-10-6-5-9-18(20)23(26-22)29-14-7-8-15-29/h5-6,9-10,17,19,21-22,30H,3-4,7-8,11-16H2,1-2H3,(H,27,31)/t19-,21+,22+/m1/s1