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100929-87-1 | L-Serinamide, L-histidyl-N-(4-methoxy-2-naphthalenyl)-, diacetate (9CI)
CAS No: 100929-87-1 Catalog No: AG000389 MDL No:
Product Description
Catalog Number:
AG000389
Chemical Name:
L-Serinamide, L-histidyl-N-(4-methoxy-2-naphthalenyl)-, diacetate (9CI)
CAS Number:
100929-87-1
Molecular Formula:
C20H22N4O5
Molecular Weight:
398.4125
IUPAC Name:
(4-methoxynaphthalen-2-yl) (2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoate
InChI:
InChI=1S/C20H22N4O5/c1-28-18-8-14(6-12-4-2-3-5-15(12)18)29-20(27)17(10-25)24-19(26)16(21)7-13-9-22-11-23-13/h2-6,8-9,11,16-17,25H,7,10,21H2,1H3,(H,22,23)(H,24,26)/t16-,17-/m0/s1
InChI Key:
QXUZIMTYKVLRTG-IRXDYDNUSA-N
SMILES:
OC[C@@H](C(=O)Oc1cc(OC)c2c(c1)cccc2)NC(=O)[C@H](Cc1c[nH]cn1)N
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
398.159g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
398.419g/mol
Monoisotopic Mass:
398.159g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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