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

Systemtic Name: (3S)-2-(cyclopropylmethyl)-N-[5-(dibutylamino)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-oxidanyl-heptanamide Openeye Name: (3S)-2-(cyclopropylmethyl)-N-[5-(dibutylamino)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-hydroxy-heptanamide CAS Name: (3S)-2-(cyclopropylmethyl)-N-[5-(dibutylamino)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-hydroxyheptanamide IUPAC Name: (3S)-2-(cyclopropylmethyl)-N-[5-(dibutylamino)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-hydroxyheptanamide Traditional Name: (3S)-2-(cyclopropylmethyl)-N-[5-(dibutylamino)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-3-hydroxy-enanthamide Formula: C29H46N4O3 MolecularWeight: 498.70054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@@H](C(CC1CC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N(CCCC)CCCC)C)O

InChI

InChI=1S/C29H46N4O3/c1-5-8-15-25(34)23(20-21-16-17-21)28(35)31-26-29(36)32(4)24-14-12-11-13-22(24)27(30-26)33(18-9-6-2)19-10-7-3/h11-14,21,23,25-26,34H,5-10,15-20H2,1-4H3,(H,31,35)/t23?,25-,26?/m0/s1