CAS 137372-37-3 | L-Proline, L-tyrosyl-L-valyl-L-prolylglycyl-L-phenylalanyl- (9CI) | CAS Number 137372-37-3

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137372-37-3 | L-Proline, L-tyrosyl-L-valyl-L-prolylglycyl-L-phenylalanyl- (9CI)

CAS No: 137372-37-3 Catalog No: AG00137M MDL No:

Product Description

Catalog Number:

AG00137M

Chemical Name:

L-Proline, L-tyrosyl-L-valyl-L-prolylglycyl-L-phenylalanyl- (9CI)

CAS Number:

137372-37-3

Molecular Formula:

C35H46N6O8

Molecular Weight:

678.7751

IUPAC Name:

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

InChI:

InChI=1S/C35H46N6O8/c1-21(2)30(39-31(44)25(36)18-23-12-14-24(42)15-13-23)34(47)40-16-6-10-27(40)32(45)37-20-29(43)38-26(19-22-8-4-3-5-9-22)33(46)41-17-7-11-28(41)35(48)49/h3-5,8-9,12-15,21,25-28,30,42H,6-7,10-11,16-20,36H2,1-2H3,(H,37,45)(H,38,43)(H,39,44)(H,48,49)/t25-,26-,27-,28-,30-/m0/s1

InChI Key:

NBVNWULFQHYLQB-KGEMVMTLSA-N

SMILES:

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

Properties

Complexity:

1180

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

678.338g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

678.787g/mol

Monoisotopic Mass:

678.338g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

212A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6

Literature

Title	Journal
Immunosuppressive activity of some peptides related to cycloamanide A (CyA A) and to the active fragment of a peptide immunomodulator from ovine colostrum.	Archivum immunologiae et therapiae experimentalis 19930101
Immunosuppressive analogues of hexapeptide Tyr-Val-Pro-Leu-Phe-Pro, an immune system stimulant.	International journal of peptide and protein research 19910701