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113527-48-3 | L-Valinamide, N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-L-tyrosyl- (9CI)
CAS No: 113527-48-3 Catalog No: AG0008WB MDL No:
Product Description
Catalog Number:
AG0008WB
Chemical Name:
L-Valinamide, N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-L-tyrosyl- (9CI)
CAS Number:
113527-48-3
Molecular Formula:
C26H32N4O5S
Molecular Weight:
512.6211
IUPAC Name:
(2S)-2-[[(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanamide
InChI:
InChI=1S/C26H32N4O5S/c1-16(2)24(25(27)32)28-26(33)21(15-17-11-13-18(31)14-12-17)29-36(34,35)23-10-6-7-19-20(23)8-5-9-22(19)30(3)4/h5-14,16,21,24,29,31H,15H2,1-4H3,(H2,27,32)(H,28,33)/t21-,24-/m0/s1
InChI Key:
YZSAAILEAGIGBA-URXFXBBRSA-N
SMILES:
O=C([C@@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)Cc1ccc(cc1)O)N[C@H](C(=O)N)C(C)C
Properties
Complexity:
851
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
512.209g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
512.625g/mol
Monoisotopic Mass:
512.209g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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