CAS 145523-59-7 | L-Prolinamide, L-leucyl-L-prolyl-L-prolylglycyl-L-prolyl-L-leucyl-L-prolyl-L-arginyl- (9CI) | CAS Number 145523-59-7

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145523-59-7 | L-Prolinamide, L-leucyl-L-prolyl-L-prolylglycyl-L-prolyl-L-leucyl-L-prolyl-L-arginyl- (9CI)

CAS No: 145523-59-7 Catalog No: AG001D5O MDL No:

Product Description

Catalog Number:

AG001D5O

Chemical Name:

L-Prolinamide, L-leucyl-L-prolyl-L-prolylglycyl-L-prolyl-L-leucyl-L-prolyl-L-arginyl- (9CI)

CAS Number:

145523-59-7

Molecular Formula:

C45H75N13O9

Molecular Weight:

942.1587

IUPAC Name:

(2S)-1-[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]-N-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

InChI:

InChI=1S/C45H75N13O9/c1-26(2)23-28(46)41(64)58-22-10-16-35(58)44(67)57-21-8-13-32(57)38(61)51-25-36(59)54-18-7-14-33(54)39(62)53-30(24-27(3)4)43(66)56-20-9-15-34(56)40(63)52-29(11-5-17-50-45(48)49)42(65)55-19-6-12-31(55)37(47)60/h26-35H,5-25,46H2,1-4H3,(H2,47,60)(H,51,61)(H,52,63)(H,53,62)(H4,48,49,50)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1

InChI Key:

YHOQBWZUMARNEF-DZCXQCEKSA-N

SMILES:

CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)N)C

Properties

Complexity:

1880

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

941.581g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

942.177g/mol

Monoisotopic Mass:

941.581g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

322A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.8

Literature

Title	Journal
Isolation of Leu-Pro-Pro-Gly-Pro-Leu-Pro-Arg-Pro-NH2 (Antho-RPamide), an N-terminally protected, biologically active neuropeptide from sea anemones.	Peptides 19920101