N-[1-[2-[[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-5-oxidanylidene-hexanamide

Systemtic Name: N-[1-[2-[[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-5-oxidanylidene-hexanamide Openeye Name: N-[1-[2-[[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-5-oxo-hexanamide CAS Name: N-[1-[2-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-5-oxohexanamide IUPAC Name: N-[1-[2-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-5-oxohexanamide Traditional Name: N-[1-[2-[[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-5-keto-hexanamide Formula: C32H39N5O5 MolecularWeight: 573.68256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC(=O)NC(CC4CCCCC4)C(=O)N

Isomeric SMILES

CC(=O)CCCC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC(=O)N[C@@H](CC4CCCCC4)C(=O)N

InChI

InChI=1S/C32H39N5O5/c1-21(38)11-10-18-27(39)35-31-32(42)37(20-28(40)34-25(30(33)41)19-22-12-4-2-5-13-22)26-17-9-8-16-24(26)29(36-31)23-14-6-3-7-15-23/h3,6-9,14-17,22,25,31H,2,4-5,10-13,18-20H2,1H3,(H2,33,41)(H,34,40)(H,35,39)/t25-,31?/m0/s1