AC1MHN1E

benzyl N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-ethylpyrrolidine-2-carbonyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]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]-1,5-dioxopentan-2-yl]carbamate;hydrochloride

Also Known As: L-Prolinamide, N(sup 2)-((phenylmethoxy)carbonyl)-L-glutaminyl-L-tryptophyl-L-seryl-L-tyrosyl-D-methionyl-L-leucyl-L-arginyl-N-ethyl-, hydrochloride, hydrate (1:1:2)|Z-(Gln(sup 1)-des-His(sup 2)-D-Met(sup 6)-des-Gly(sup 10))-LHRH ethylamide HCl H2-O (1:1:2)|benzyl N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-ethylpyrrolidine-2-carbonyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]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]-1,5-dioxopentan-2-yl]carbamate hydrochloride|N~2~-[(Benzyloxy)carbonyl]-L-glutaminyl-L-tryptophyl-L-seryl-L-tyrosyl-D-methionyl-L-leucyl-N~5~-(diaminomethylidene)-N-[(2S)-1-ethylpyrrolidine-2-carbonyl]-L-ornithinamide--hydrogen chloride (1/1)

Molecular Formula	C60H85ClN14O13S
Molecular Weight	1276.583 g/mol
LogP	0.522
Topological Polar Surface Area	426.08 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	16
Rotatable Bonds	35
Exact Mass	1276.583
Monoisotopic Mass	1276.583
Heavy Atoms	89
Complexity	3042.495

Chemical Identifiers

CAS Number	71033-66-4
SMILES	CCN1CCC[C@H]1C(=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCSC)NC(=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](CCC(=O)N)NC(=O)OCC5=CC=CC=C5.Cl