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144450-06-6 | Glycine, L-tyrosyl-L-prolyl-L-tryptophyl-
CAS No: 144450-06-6 Catalog No: AG001JJN MDL No:
Product Description
Catalog Number:
AG001JJN
Chemical Name:
Glycine, L-tyrosyl-L-prolyl-L-tryptophyl-
CAS Number:
144450-06-6
Molecular Formula:
C27H31N5O6
Molecular Weight:
521.5649
IUPAC Name:
2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid
InChI:
InChI=1S/C27H31N5O6/c28-20(12-16-7-9-18(33)10-8-16)27(38)32-11-3-6-23(32)26(37)31-22(25(36)30-15-24(34)35)13-17-14-29-21-5-2-1-4-19(17)21/h1-2,4-5,7-10,14,20,22-23,29,33H,3,6,11-13,15,28H2,(H,30,36)(H,31,37)(H,34,35)/t20-,22-,23-/m0/s1
InChI Key:
JEXPTFOYVHMNFJ-PMVMPFDFSA-N
SMILES:
OC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)N
Properties
Complexity:
863
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
521.227g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
521.574g/mol
Monoisotopic Mass:
521.227g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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