CAS 137372-36-2 | L-Proline, 1-[N-[N-[1-(N-L-tyrosylglycyl)-L-prolyl]-L-leucyl]-L-phenylalanyl]- (9CI) | CAS Number 137372-36-2

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137372-36-2 | L-Proline, 1-[N-[N-[1-(N-L-tyrosylglycyl)-L-prolyl]-L-leucyl]-L-phenylalanyl]- (9CI)

CAS No: 137372-36-2 Catalog No: AG00137N MDL No:

Product Description

Catalog Number:

AG00137N

Chemical Name:

L-Proline, 1-[N-[N-[1-(N-L-tyrosylglycyl)-L-prolyl]-L-leucyl]-L-phenylalanyl]- (9CI)

CAS Number:

137372-36-2

Molecular Formula:

C36H48N6O8

Molecular Weight:

692.8017

IUPAC Name:

(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid

InChI:

InChI=1S/C36H48N6O8/c1-22(2)18-27(33(46)40-28(20-23-8-4-3-5-9-23)35(48)42-17-7-11-30(42)36(49)50)39-34(47)29-10-6-16-41(29)31(44)21-38-32(45)26(37)19-24-12-14-25(43)15-13-24/h3-5,8-9,12-15,22,26-30,43H,6-7,10-11,16-21,37H2,1-2H3,(H,38,45)(H,39,47)(H,40,46)(H,49,50)/t26-,27-,28-,29-,30-/m0/s1

InChI Key:

GWXOEHPRWMAKPT-IIZANFQQSA-N

SMILES:

CC(C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N)C

Properties

Complexity:

1200

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

692.353g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

692.814g/mol

Monoisotopic Mass:

692.353g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

212A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1

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