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1135616-49-7 | L-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino](methylimino)methyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 1135616-49-7 Catalog No: AG0008ZK MDL No:MFCD08064312
Product Description
Catalog Number:
AG0008ZK
Chemical Name:
L-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino](methylimino)methyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
1135616-49-7
Molecular Formula:
C35H42N4O7S
Molecular Weight:
662.7956
MDL Number:
MFCD08064312
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[N'-methyl-N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoic acid
InChI:
InChI=1S/C35H42N4O7S/c1-20-21(2)31(22(3)27-18-35(4,5)46-30(20)27)47(43,44)39-33(36-6)37-17-11-16-29(32(40)41)38-34(42)45-19-28-25-14-9-7-12-23(25)24-13-8-10-15-26(24)28/h7-10,12-15,28-29H,11,16-19H2,1-6H3,(H,38,42)(H,40,41)(H2,36,37,39)/t29-/m0/s1
InChI Key:
JAUPJPAADXVUGQ-LJAQVGFWSA-N
SMILES:
CN=C(NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(O2)(C)C)NCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
1230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
662.277g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
662.802g/mol
Monoisotopic Mass:
662.277g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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