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138166-66-2 | Glycine, N-[1-[N-(1-L-tyrosyl-L-prolyl)-L-tyrosyl]-L-prolyl]- (9CI)
CAS No: 138166-66-2 Catalog No: AG001835 MDL No:
Product Description
Catalog Number:
AG001835
Chemical Name:
Glycine, N-[1-[N-(1-L-tyrosyl-L-prolyl)-L-tyrosyl]-L-prolyl]- (9CI)
CAS Number:
138166-66-2
Molecular Formula:
C30H37N5O8
Molecular Weight:
595.6435
IUPAC Name:
2-[[1-[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
InChI:
InChI=1S/C30H37N5O8/c31-22(15-18-5-9-20(36)10-6-18)29(42)34-13-2-4-25(34)28(41)33-23(16-19-7-11-21(37)12-8-19)30(43)35-14-1-3-24(35)27(40)32-17-26(38)39/h5-12,22-25,36-37H,1-4,13-17,31H2,(H,32,40)(H,33,41)(H,38,39)
InChI Key:
ANRWQZZCBIJMIC-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)N)Cc1ccc(cc1)O
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
595.264g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
595.653g/mol
Monoisotopic Mass:
595.264g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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