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245073-52-3 | L-Phenylalanine, L-seryl-L-alanylglycyl- (9CI)
CAS No: 245073-52-3 Catalog No: AG002ODB MDL No:
Product Description
Catalog Number:
AG002ODB
Chemical Name:
L-Phenylalanine, L-seryl-L-alanylglycyl- (9CI)
CAS Number:
245073-52-3
Molecular Formula:
C17H24N4O6
Molecular Weight:
380.3957
IUPAC Name:
(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C17H24N4O6/c1-10(20-16(25)12(18)9-22)15(24)19-8-14(23)21-13(17(26)27)7-11-5-3-2-4-6-11/h2-6,10,12-13,22H,7-9,18H2,1H3,(H,19,24)(H,20,25)(H,21,23)(H,26,27)/t10-,12-,13-/m0/s1
InChI Key:
CYHGMWDFTYJGFY-DRZSPHRISA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccccc1)C)N
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
380.17g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
380.401g/mol
Monoisotopic Mass:
380.17g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2
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