Molecule structure of Z-(Ser(Bzl)1-des-His2-D-Phe2-des-Gly10)-L-HRH ethylamide hydrochloride hydrate (2:3:4) (CAS NO.64153-17-9):

IUPAC Name: Benzyl N-[(2S)-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]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate hydrochloride 
Molecular Weight: 1342.96932 g/mol
Molecular Formula: C₆₉H₈₈ClN₁₃O₁₃
H-Bond Donor: 14
H-Bond Acceptor: 17
Rotatable Bond Count: 36
Tautomer Count: 768
Exact Mass: 1341.631308
MonoIsotopic Mass: 1341.631308
Topological Polar Surface Area: 392
Heavy Atom Count: 96
Complexity: 2480
Defined Atom StereoCenter Count: 8
Canonical SMILES: CCN1CCCC1C(=O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)CCC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CO)NC(=O)OCC7=CC=CC=C7.Cl
Isomeric 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](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CO)NC(=O)OCC7=CC=CC=C7.Cl
InChI: InChI=1S/C69H87N13O13.ClH/c1-4-82-33-17-27-59(82)67(92)81-60(85)52(26-16-32-72-68(70)71)74-61(86)53(34-43(2)3)75-62(87)54(35-44-18-8-5-9-19-44)76-63(88)55(36-45-28-30-49(31-29-45)94-41-46-20-10-6-11-21-46)77-65(90)57(39-83)79-64(89)56(37-48-38-73-51-25-15-14-24-50(48)51)78-66(91)58(40-84)80-69(93)95-42-47-22-12-7-13-23-47;/h5-15,18-25,28-31,38,43,52-59,73,83-84H,4,16-17,26-27,32-37,39-42H2,1-3H3,(H,74,86)(H,75,87)(H,76,88)(H,77,90)(H,78,91)(H,79,89)(H,80,93)(H4,70,71,72)(H,81,85,92);1H/t52-,53-,54+,55-,56-,57-,58-,59-;/m0./s1
InChIKey of Z-(Ser(Bzl)1-des-His2-D-Phe2-des-Gly10)-L-HRH ethylamide hydrochloride hydrate (2:3:4) (CAS NO.64153-17-9): FUCJBUXAAFZCLV-IIQNFQLGSA-N

Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NO_x, HCl, and Cl⁻.

 Z-(Ser(Bzl)1-des-His2-D-Phe2-des-Gly10)-L-HRH ethylamide hydrochloride hydrate (2:3:4) (CAS NO.64153-17-9) is also named as L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-D-phenylalanyl-L-leucyl-L-arginyl-N-ethyl-, hydrochloride, hydrate (2:3:4) .