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1253282-31-3 | L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-[[[(4S)-hexahydro-2,6-dioxo-4-pyrimidinyl]carbonyl]amino]-
CAS No: 1253282-31-3 Catalog No: AG000NHX MDL No:MFCD27923015
Product Description
Catalog Number:
AG000NHX
Chemical Name:
L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-[[[(4S)-hexahydro-2,6-dioxo-4-pyrimidinyl]carbonyl]amino]-
CAS Number:
1253282-31-3
Molecular Formula:
C29H26N4O7
Molecular Weight:
542.5393
MDL Number:
MFCD27923015
IUPAC Name:
(2S)-3-[4-[[(4S)-2,6-dioxo-1,3-diazinane-4-carbonyl]amino]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C29H26N4O7/c34-25-14-23(31-28(38)33-25)26(35)30-17-11-9-16(10-12-17)13-24(27(36)37)32-29(39)40-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-24H,13-15H2,(H,30,35)(H,32,39)(H,36,37)(H2,31,33,34,38)/t23-,24-/m0/s1
InChI Key:
TYZSMQUWFLKJFB-ZEQRLZLVSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
959
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
542.18g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
542.548g/mol
Monoisotopic Mass:
542.18g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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