Name: Name:Propanedioic acid, [1-[[[2,2-dimethyl-1-[(methylamino)carbonyl]propyl]amino]carbonyl]-3-methylbutyl]hydroxy-, bis(phenylmethyl) ester, [S-(R*,S*)]- (9CI)
Brand: Angene
SKU: AG00ABOX
Rating: 90 (10 reviews)

Propanedioic acid, [1-[[[2,2-dimethyl-1-[(methylamino)carbonyl]propyl]amino]carbonyl]-3-methylbutyl]hydroxy-, bis(phenylmethyl) ester, [S-(R*,S*)]- (9CI)

CAS No.:

191792-11-7

Catalog Number:

AG00ABOX

Molecular Formula:

C30H40N2O7

Molecular Weight:

540.6478

Catalog Number:

AG00ABOX

Chemical Name:

Propanedioic acid, [1-[[[2,2-dimethyl-1-[(methylamino)carbonyl]propyl]amino]carbonyl]-3-methylbutyl]hydroxy-, bis(phenylmethyl) ester, [S-(R*,S*)]- (9CI)

CAS Number:

191792-11-7

Molecular Formula:

C30H40N2O7

Molecular Weight:

540.6478

MDL Number:

MFCD28385901

IUPAC Name:

dibenzyl 2-[(2R)-1-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-hydroxypropanedioate

InChI:

InChI=1S/C30H40N2O7/c1-20(2)17-23(25(33)32-24(26(34)31-6)29(3,4)5)30(37,27(35)38-18-21-13-9-7-10-14-21)28(36)39-19-22-15-11-8-12-16-22/h7-16,20,23-24,37H,17-19H2,1-6H3,(H,31,34)(H,32,33)/t23-,24+/m0/s1

InChI Key:

VNAISQZMBMKVHC-BJKOFHAPSA-N

SMILES:

CNC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](C(C(=O)OCc1ccccc1)(C(=O)OCc1ccccc1)O)CC(C)C

Complexity:

790

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

540.284g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

540.657g/mol

Monoisotopic Mass:

540.284g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

131A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5