Name: Name:2-Hexenoic acid, 4-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3,3-dimethyl-1-oxobutyl]methylamino]-2,5-dimethyl-, ethyl ester, (2E,4S)-
Brand: Angene
SKU: AG00ABPI
Rating: 90 (10 reviews)

2-Hexenoic acid, 4-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3,3-dimethyl-1-oxobutyl]methylamino]-2,5-dimethyl-, ethyl ester, (2E,4S)-

CAS No.:

187345-37-5

Catalog Number:

AG00ABPI

Molecular Formula:

C22H40N2O5

Molecular Weight:

412.5634

Catalog Number:

AG00ABPI

Chemical Name:

2-Hexenoic acid, 4-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3,3-dimethyl-1-oxobutyl]methylamino]-2,5-dimethyl-, ethyl ester, (2E,4S)-

CAS Number:

187345-37-5

Molecular Formula:

C22H40N2O5

Molecular Weight:

412.5634

MDL Number:

MFCD29472352

IUPAC Name:

ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate

InChI:

InChI=1S/C22H40N2O5/c1-12-28-19(26)15(4)13-16(14(2)3)24(11)18(25)17(21(5,6)7)23-20(27)29-22(8,9)10/h13-14,16-17H,12H2,1-11H3,(H,23,27)/b15-13+/t16-,17-/m1/s1

InChI Key:

MFZVQAHFZVUOFQ-IDGBWPAGSA-N

SMILES:

CCOC(=O)/C(=C/[C@@H](N(C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C)C(C)C)/C

Complexity:

612

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

412.294g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

412.571g/mol

Monoisotopic Mass:

412.294g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5