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143740-93-6 | L-Proline, 1-[N-[N-[N-(N-L-tyrosylglycyl)glycyl]-L-phenylalanyl]-L-seryl]- (9CI)
CAS No: 143740-93-6 Catalog No: AG001IBH MDL No:
Product Description
Catalog Number:
AG001IBH
Chemical Name:
L-Proline, 1-[N-[N-[N-(N-L-tyrosylglycyl)glycyl]-L-phenylalanyl]-L-seryl]- (9CI)
CAS Number:
143740-93-6
Molecular Formula:
C30H38N6O9
Molecular Weight:
626.6575
IUPAC Name:
1-[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C30H38N6O9/c31-21(13-19-8-10-20(38)11-9-19)27(41)33-15-25(39)32-16-26(40)34-22(14-18-5-2-1-3-6-18)28(42)35-23(17-37)29(43)36-12-4-7-24(36)30(44)45/h1-3,5-6,8-11,21-24,37-38H,4,7,12-17,31H2,(H,32,39)(H,33,41)(H,34,40)(H,35,42)(H,44,45)
InChI Key:
DXDNXZPHXZLDQG-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N
Properties
Complexity:
1040
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
626.27g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
626.667g/mol
Monoisotopic Mass:
626.27g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
241A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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