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70601-13-7 | Carbamic acid,[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1-[(1-formyl-1H-indol-3-yl)methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester, (S)-
CAS No: 70601-13-7 Catalog No: AG00IC30 MDL No:MFCD00236877
Product Description
Catalog Number:
AG00IC30
Chemical Name:
Carbamic acid,[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1-[(1-formyl-1H-indol-3-yl)methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester, (S)-
CAS Number:
70601-13-7
Molecular Formula:
C21H23N3O7
Molecular Weight:
429.4232
MDL Number:
MFCD00236877
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) (2S)-3-(1-formylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C21H23N3O7/c1-21(2,3)30-20(29)22-15(19(28)31-24-17(26)8-9-18(24)27)10-13-11-23(12-25)16-7-5-4-6-14(13)16/h4-7,11-12,15H,8-10H2,1-3H3,(H,22,29)/t15-/m0/s1
InChI Key:
UIJBLCAUIANFPJ-HNNXBMFYSA-N
SMILES:
O=Cn1cc(c2c1cccc2)C[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C
Properties
Complexity:
732
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
429.154g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
429.429g/mol
Monoisotopic Mass:
429.154g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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