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

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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

636.291g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

636.706g/mol

Monoisotopic Mass:

636.291g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

212A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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