(2R,3S)-2-(cyclopropylmethyl)-N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-oxidanyl-hept-6-enamide

Systemtic Name: (2R,3S)-2-(cyclopropylmethyl)-N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-oxidanyl-hept-6-enamide Openeye Name: (2R,3S)-2-(cyclopropylmethyl)-3-hydroxy-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]hept-6-enamide CAS Name: (2R,3S)-2-(cyclopropylmethyl)-3-hydroxy-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-6-heptenamide IUPAC Name: (2R,3S)-2-(cyclopropylmethyl)-3-hydroxy-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]hept-6-enamide Traditional Name: (2R,3S)-2-(cyclopropylmethyl)-3-hydroxy-N-[(3S)-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl]hept-6-enamide Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CC3CC3)C(CCC=C)O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)[C@H](CC3CC3)[C@H](CCC=C)O)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3/c1-3-4-14-23(31)21(17-18-15-16-18)26(32)29-25-27(33)30(2)22-13-9-8-12-20(22)24(28-25)19-10-6-5-7-11-19/h3,5-13,18,21,23,25,31H,1,4,14-17H2,2H3,(H,29,32)/t21-,23+,25-/m1/s1