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203854-47-1 | Heptanoic acid, 7-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (3S)-
CAS No: 203854-47-1 Catalog No: AG00294X MDL No:MFCD01863054
Product Description
Catalog Number:
AG00294X
Chemical Name:
Heptanoic acid, 7-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (3S)-
CAS Number:
203854-47-1
Molecular Formula:
C27H34N2O6
Molecular Weight:
482.5687
MDL Number:
MFCD01863054
IUPAC Name:
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
InChI:
InChI=1S/C27H34N2O6/c1-27(2,3)35-25(32)28-15-9-8-10-18(16-24(30)31)29-26(33)34-17-23-21-13-6-4-11-19(21)20-12-5-7-14-22(20)23/h4-7,11-14,18,23H,8-10,15-17H2,1-3H3,(H,28,32)(H,29,33)(H,30,31)/t18-/m0/s1
InChI Key:
SDBUQLGECIYUDT-SFHVURJKSA-N
SMILES:
OC(=O)C[C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CCCCNC(=O)OC(C)(C)C
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
482.242g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
482.577g/mol
Monoisotopic Mass:
482.242g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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