CAS 308340-70-7 | L-Tryptophanamide, L-histidyl-D-phenylalanyl-L-arginyl- | CAS Number 308340-70-7

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308340-70-7 | L-Tryptophanamide, L-histidyl-D-phenylalanyl-L-arginyl-

CAS No: 308340-70-7 Catalog No: AG0031FN MDL No:

Product Description

Catalog Number:

AG0031FN

Chemical Name:

L-Tryptophanamide, L-histidyl-D-phenylalanyl-L-arginyl-

CAS Number:

308340-70-7

Molecular Formula:

C32H41N11O4

Molecular Weight:

643.7392

IUPAC Name:

(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide

InChI:

InChI=1S/C32H41N11O4/c33-23(15-21-17-37-18-40-21)29(45)43-27(13-19-7-2-1-3-8-19)31(47)41-25(11-6-12-38-32(35)36)30(46)42-26(28(34)44)14-20-16-39-24-10-5-4-9-22(20)24/h1-5,7-10,16-18,23,25-27,39H,6,11-15,33H2,(H2,34,44)(H,37,40)(H,41,47)(H,42,46)(H,43,45)(H4,35,36,38)/t23-,25-,26-,27+/m0/s1

InChI Key:

OVIZBCMXCJAPHP-PGXSJUQOSA-N

SMILES:

NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)[C@H](Cc1nc[nH]c1)N)Cc1ccccc1

Properties

Complexity:

1080

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

643.334g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

643.753g/mol

Monoisotopic Mass:

643.334g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

265A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.1

Literature

Title	Journal
N-terminal fatty acylated His-dPhe-Arg-Trp-NH(2) tetrapeptides: influence of fatty acid chain length on potency and selectivity at the mouse melanocortin receptors and human melanocytes.	Journal of medicinal chemistry 20050505