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1217471-94-7 | Butanoic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-[[(phenylmethoxy)carbonyl]amino]-, (3S)-
CAS No: 1217471-94-7 Catalog No: AG0015Q5 MDL No:MFCD03788645
Product Description
Catalog Number:
AG0015Q5
Chemical Name:
Butanoic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-[[(phenylmethoxy)carbonyl]amino]-, (3S)-
CAS Number:
1217471-94-7
Molecular Formula:
C27H26N2O6
Molecular Weight:
474.5051
MDL Number:
MFCD03788645
IUPAC Name:
(3S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(phenylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C27H26N2O6/c30-25(31)14-19(29-27(33)34-16-18-8-2-1-3-9-18)15-28-26(32)35-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24H,14-17H2,(H,28,32)(H,29,33)(H,30,31)/t19-/m0/s1
InChI Key:
GNBVOVLCIBZKIQ-IBGZPJMESA-N
SMILES:
OC(=O)C[C@H](NC(=O)OCc1ccccc1)CNC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
703
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
474.179g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
474.513g/mol
Monoisotopic Mass:
474.179g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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