CAS 124256-00-4 | L-Phenylalaninamide, L-tyrosyl-L-leucyl-L-phenylalanyl-L-glutaminyl-L-prolyl-L-glutaminyl-L-arginyl- (9CI) | CAS Number 124256-00-4

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124256-00-4 | L-Phenylalaninamide, L-tyrosyl-L-leucyl-L-phenylalanyl-L-glutaminyl-L-prolyl-L-glutaminyl-L-arginyl- (9CI)

CAS No: 124256-00-4 Catalog No: AG000LRT MDL No:

Product Description

Catalog Number:

AG000LRT

Chemical Name:

L-Phenylalaninamide, L-tyrosyl-L-leucyl-L-phenylalanyl-L-glutaminyl-L-prolyl-L-glutaminyl-L-arginyl- (9CI)

CAS Number:

124256-00-4

Molecular Formula:

C54H76N14O11

Molecular Weight:

1097.2684

IUPAC Name:

(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide

InChI:

InChI=1S/C54H76N14O11/c1-31(2)27-41(66-47(73)36(55)28-34-17-19-35(69)20-18-34)50(76)67-42(30-33-13-7-4-8-14-33)51(77)64-39(22-24-45(57)71)53(79)68-26-10-16-43(68)52(78)63-38(21-23-44(56)70)49(75)62-37(15-9-25-61-54(59)60)48(74)65-40(46(58)72)29-32-11-5-3-6-12-32/h3-8,11-14,17-20,31,36-43,69H,9-10,15-16,21-30,55H2,1-2H3,(H2,56,70)(H2,57,71)(H2,58,72)(H,62,75)(H,63,78)(H,64,77)(H,65,74)(H,66,73)(H,67,76)(H4,59,60,61)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1

InChI Key:

OLADVLSBDMEFSV-AQJXLSMYSA-N

SMILES:

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

Properties

Complexity:

2090

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

1096.582g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

1097.289g/mol

Monoisotopic Mass:

1096.582g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

435A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6

Literature

Title	Journal
Comparative action of Phe-Leu-Phe-Gln-Pro-Gln-Arg-Phe-NH2 analogs on intestinal motility and nociception in rats.	The Journal of pharmacology and experimental therapeutics 19930401