[3-[(1S,2R)-1-[(2-azanyl-2-methyl-propanoyl)amino]-2-phenylmethoxy-propyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-(2-azanyl-2-oxidanylidene-ethyl)-N-methyl-carbamate

Systemtic Name: [3-[(1S,2R)-1-[(2-azanyl-2-methyl-propanoyl)amino]-2-phenylmethoxy-propyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-(2-azanyl-2-oxidanylidene-ethyl)-N-methyl-carbamate Openeye Name: [3-[(1S,2R)-1-[(2-amino-2-methyl-propanoyl)amino]-2-benzyloxy-propyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-(2-amino-2-oxo-ethyl)-N-methyl-carbamate CAS Name: N-(2-amino-2-oxoethyl)-N-methylcarbamic acid [3-[(1S,2R)-1-[(2-amino-2-methyl-1-oxopropyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl ester IUPAC Name: [3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate Traditional Name: N-(2-amino-2-keto-ethyl)-N-methyl-carbamic acid [3-[(1S,2R)-1-[(2-amino-2-methyl-propanoyl)amino]-2-benzoxy-propyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl ester Formula: C25H33N7O5 MolecularWeight: 511.57342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=NN=C2N1C(=CC=C2)COC(=O)N(C)CC(=O)N)NC(=O)C(C)(C)N)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H]([C@H](C1=NN=C2N1C(=CC=C2)COC(=O)N(C)CC(=O)N)NC(=O)C(C)(C)N)OCC3=CC=CC=C3

InChI

InChI=1S/C25H33N7O5/c1-16(36-14-17-9-6-5-7-10-17)21(28-23(34)25(2,3)27)22-30-29-20-12-8-11-18(32(20)22)15-37-24(35)31(4)13-19(26)33/h5-12,16,21H,13-15,27H2,1-4H3,(H2,26,33)(H,28,34)/t16-,21-/m1/s1