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85563-30-0 | Glycine,N-[N-(1-L-tyrosyl-L-prolyl)glycyl]- (9CI)
CAS No: 85563-30-0 Catalog No: AG004UGZ MDL No:
Product Description
Catalog Number:
AG004UGZ
Chemical Name:
Glycine,N-[N-(1-L-tyrosyl-L-prolyl)glycyl]- (9CI)
CAS Number:
85563-30-0
Molecular Formula:
C18H24N4O6
Molecular Weight:
392.4064
IUPAC Name:
2-[[2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetic acid
InChI:
InChI=1S/C18H24N4O6/c19-13(8-11-3-5-12(23)6-4-11)18(28)22-7-1-2-14(22)17(27)21-9-15(24)20-10-16(25)26/h3-6,13-14,23H,1-2,7-10,19H2,(H,20,24)(H,21,27)(H,25,26)/t13-,14-/m0/s1
InChI Key:
UKPGFKQVRITNFM-KBPBESRZSA-N
SMILES:
O=C(CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)N)NCC(=O)O
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
392.17g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
392.412g/mol
Monoisotopic Mass:
392.17g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
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