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151132-82-0 | Butanoic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-[[(phenylmethoxy)carbonyl]amino]-, (2S)-
CAS No: 151132-82-0 Catalog No: AG001N4O MDL No:MFCD06796906
Product Description
Catalog Number:
AG001N4O
Chemical Name:
Butanoic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-[[(phenylmethoxy)carbonyl]amino]-, (2S)-
CAS Number:
151132-82-0
Molecular Formula:
C27H26N2O6
Molecular Weight:
474.5051
MDL Number:
MFCD06796906
IUPAC Name:
(2S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(phenylmethoxymethylamino)butanoic acid
InChI:
InChI=1S/C27H28N2O5/c30-26(31)25(29-18-33-16-19-8-2-1-3-9-19)14-15-28-27(32)34-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,24-25,29H,14-18H2,(H,28,32)(H,30,31)/t25-/m0/s1
InChI Key:
QVFSFTYVOHSJPU-VWLOTQADSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
460.2g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
460.53g/mol
Monoisotopic Mass:
460.2g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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