Name: Name:3-Piperidinecarboxylic acid, 1-[(2S)-2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-3-(phenylmethyl)-, 1,2,2-trimethylhydrazide, (3R)-
Brand: Angene
SKU: AG00GU7V
Rating: 90 (10 reviews)

3-Piperidinecarboxylic acid, 1-[(2S)-2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-3-(phenylmethyl)-, 1,2,2-trimethylhydrazide, (3R)-

CAS No.:

883572-59-6

Catalog Number:

AG00GU7V

Molecular Formula:

C36H50N6O5

Molecular Weight:

646.8194

Catalog Number:

AG00GU7V

Chemical Name:

3-Piperidinecarboxylic acid, 1-[(2S)-2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-3-(phenylmethyl)-, 1,2,2-trimethylhydrazide, (3R)-

CAS Number:

883572-59-6

Molecular Formula:

C36H50N6O5

Molecular Weight:

646.8194

MDL Number:

MFCD29472303

IUPAC Name:

tert-butyl N-[1-[[1-[(3R)-3-benzyl-3-[dimethylamino(methyl)carbamoyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate

InChI:

InChI=1S/C36H50N6O5/c1-34(2,3)47-33(46)39-35(4,5)31(44)38-29(21-26-23-37-28-18-13-12-17-27(26)28)30(43)42-20-14-19-36(24-42,32(45)41(8)40(6)7)22-25-15-10-9-11-16-25/h9-13,15-18,23,29,37H,14,19-22,24H2,1-8H3,(H,38,44)(H,39,46)/t29?,36-/m1/s1

InChI Key:

AJGGVBSVVWMZRI-YVSJXSHXSA-N

SMILES:

O=C(NC(C(=O)N[C@H](C(=O)N1CCC[C@](C1)(Cc1ccccc1)C(=O)N(N(C)C)C)Cc1c[nH]c2c1cccc2)(C)C)OC(C)(C)C

Complexity:

1120

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

646.384g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

646.833g/mol

Monoisotopic Mass:

646.384g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

127A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5