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137372-38-4

137372-38-4 | L-Proline, 1-[N-[N-[1-(N-L-tyrosylglycyl)-L-prolyl]glycyl]-L-phenylalanyl]- (9CI)

CAS No: 137372-38-4 Catalog No: AG00137L MDL No:

Product Description

Catalog Number:
AG00137L
Chemical Name:
L-Proline, 1-[N-[N-[1-(N-L-tyrosylglycyl)-L-prolyl]glycyl]-L-phenylalanyl]- (9CI)
CAS Number:
137372-38-4
Molecular Formula:
C32H40N6O8
Molecular Weight:
636.6954
IUPAC Name:
(2S)-1-[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C32H40N6O8/c33-23(16-21-10-12-22(39)13-11-21)29(42)35-19-28(41)37-14-4-8-25(37)30(43)34-18-27(40)36-24(17-20-6-2-1-3-7-20)31(44)38-15-5-9-26(38)32(45)46/h1-3,6-7,10-13,23-26,39H,4-5,8-9,14-19,33H2,(H,34,43)(H,35,42)(H,36,40)(H,45,46)/t23-,24-,25-,26-/m0/s1
InChI Key:
QXZMVZKOBWPZCR-CQJMVLFOSA-N
SMILES:
O=C(N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccccc1)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N

Properties

Complexity:
1110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
636.291g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
636.706g/mol
Monoisotopic Mass:
636.291g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
212A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  

Literature

Title Journal
Immunosuppressive analogues of hexapeptide Tyr-Val-Pro-Leu-Phe-Pro, an immune system stimulant. International journal of peptide and protein research 19910701

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