CAS 78700-75-1 | Glycinamide,L-tyrosyl-D-alanyl-L-phenylalanyl- | CAS Number 78700-75-1

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78700-75-1 | Glycinamide,L-tyrosyl-D-alanyl-L-phenylalanyl-

CAS No: 78700-75-1 Catalog No: AG005JWR MDL No:

Product Description

Catalog Number:

AG005JWR

Chemical Name:

Glycinamide,L-tyrosyl-D-alanyl-L-phenylalanyl-

CAS Number:

78700-75-1

Molecular Formula:

C23H29N5O5

Molecular Weight:

455.5069

IUPAC Name:

(2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide

InChI:

InChI=1S/C23H29N5O5/c1-14(27-22(32)18(24)11-16-7-9-17(29)10-8-16)21(31)28-19(23(33)26-13-20(25)30)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,30)(H,26,33)(H,27,32)(H,28,31)/t14-,18+,19+/m1/s1

InChI Key:

JWZLANUHRXGDET-CCKFTAQKSA-N

SMILES:

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

Properties

Complexity:

674

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

455.217g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

455.515g/mol

Monoisotopic Mass:

455.217g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

177A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5

Literature

Title	Journal
Opioid peptides. VIII. Synthesis and preliminary biological activity of [D-Phe3]- or [alpha,beta-dehydro-Phe3]dermorphin tetrapeptides.	Il Farmaco; edizione scientifica 19850601