CAS 123209-96-1 | L-Leucinamide, glycylglycyl-L-seryl-L-leucyl-L-tyrosyl-L-seryl-L-phenylalanylglycyl- | CAS Number 123209-96-1

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123209-96-1 | L-Leucinamide, glycylglycyl-L-seryl-L-leucyl-L-tyrosyl-L-seryl-L-phenylalanylglycyl-

CAS No: 123209-96-1 Catalog No: AG000K5X MDL No:

Product Description

Catalog Number:

AG000K5X

Chemical Name:

L-Leucinamide, glycylglycyl-L-seryl-L-leucyl-L-tyrosyl-L-seryl-L-phenylalanylglycyl-

CAS Number:

123209-96-1

Molecular Formula:

C42H62N10O12

Molecular Weight:

899.0015

IUPAC Name:

(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanamide

InChI:

InChI=1S/C42H62N10O12/c1-23(2)14-28(37(44)59)47-36(58)20-46-38(60)30(16-25-8-6-5-7-9-25)50-42(64)33(22-54)52-40(62)31(17-26-10-12-27(55)13-11-26)51-39(61)29(15-24(3)4)49-41(63)32(21-53)48-35(57)19-45-34(56)18-43/h5-13,23-24,28-33,53-55H,14-22,43H2,1-4H3,(H2,44,59)(H,45,56)(H,46,60)(H,47,58)(H,48,57)(H,49,63)(H,50,64)(H,51,61)(H,52,62)/t28-,29-,30-,31-,32-,33-/m0/s1

InChI Key:

FQELVQXEBBNBAC-FSJACQRISA-N

SMILES:

NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N)CC(C)C)Cc1ccccc1)CO)Cc1ccc(cc1)O)CC(C)C)CO

Properties

Complexity:

1570

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

898.455g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

899.016g/mol

Monoisotopic Mass:

898.455g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

363A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.2

Literature

Title	Journal
Primary structure of four allatostatins: neuropeptide inhibitors of juvenile hormone synthesis.	Proceedings of the National Academy of Sciences of the United States of America 19890801