Z-(Leu(sup 1)-des-His(sup 2))-LHRH hydrochloride hydrate (2:3:6)

benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate;hydrochloride

Also Known As: C58H80N14O13.3/2ClH.3H2O|Z-(Leu(sup 1)-des-His(sup 2))-LHRH hydrochloride hydrate (2:3:6)|C58-H80-N14-O13.3/2Cl-H.3H2-O|Luteinizing hormone-releasing factor(pig), 1-de(5-oxo-L-proline)-2-(N-((phenylmethoxy)carbonyl)-L-leucine)-, hydrochloride, hydrate (2:3:6)|Z-(Leu(sup 1)-des-His(sup 2))-luteinizing hormone-releasing hormone HCl H2-O (2:3:6)|benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate hydrochloride|N-[(Benzyloxy)carbonyl]-L-leucyl-L-tryptophyl-L-seryl-L-tyrosylglycyl-L-leucyl-N~5~-(diaminomethylidene)-L-ornithyl-L-prolylglycinamide--hydrogen chloride (1/1)

Molecular Formula	C58H81ClN14O13
Molecular Weight	1216.5796 g/mol
LogP	-0.3537
Topological Polar Surface Area	426.08 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	14
Rotatable Bonds	32
Exact Mass	1216.5796
Monoisotopic Mass	1216.5796
Heavy Atoms	86
Complexity	2976.9885

Chemical Identifiers

CAS Number	71033-95-9
SMILES	CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(C)C)NC(=O)OCC5=CC=CC=C5.Cl