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113963-61-4 | Glycine, N-[N-(N-L-tryptophyl-L-seryl)-L-tryptophyl]- (9CI)
CAS No: 113963-61-4 Catalog No: AG000A5N MDL No:
Product Description
Catalog Number:
AG000A5N
Chemical Name:
Glycine, N-[N-(N-L-tryptophyl-L-seryl)-L-tryptophyl]- (9CI)
CAS Number:
113963-61-4
Molecular Formula:
C27H30N6O6
Molecular Weight:
534.5637
IUPAC Name:
2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid
InChI:
InChI=1S/C27H30N6O6/c28-19(9-15-11-29-20-7-3-1-5-17(15)20)25(37)33-23(14-34)27(39)32-22(26(38)31-13-24(35)36)10-16-12-30-21-8-4-2-6-18(16)21/h1-8,11-12,19,22-23,29-30,34H,9-10,13-14,28H2,(H,31,38)(H,32,39)(H,33,37)(H,35,36)
InChI Key:
IIPQRZDSDGYUGE-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N
Properties
Complexity:
889
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.223g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
534.573g/mol
Monoisotopic Mass:
534.223g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
202A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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