The Cetrorelix trifluoroacetate with its cas register number is 130289-71-3. It also can be called as N-Acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N5-(aminocarbonyl)-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide mono(trifluoroacetate) and the IUPAC Name about this chemical is (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid.

Physical properties about Cetrorelix trifluoroacetate are: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 33; (4)#H bond donors: 21; (5)#Freely Rotating Bonds: 40; (6)Polar Surface Area: 323.45Ų; (7)Enthalpy of Vaporization: 297.81 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C[C@@H](NC(=O)[C@H](NC(=O)C)Cc3ccc2ccccc2c3)C(=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)N[C@H](C(=O)N4[C@H](C(=O)N[C@@H](C(=O)N)C)CCC4)CCCNC(=[N@H])N)CC(C)C)CCCNC(=O )N)Cc5ccc(O)cc5)CO)Cc6cccnc6.FC(F)(F)C(=O)O
(2)InChI: InChI=1/C70H92ClN17O14.C2HF3O2/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44;3-2(4,5)1(6)7/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102);(H,6,7)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+;/m1./s1
(3)InChIKey: QJPSZAPHZMUGOX-ANRVCLKPBI
(4)Std. InChI: InChI=1S/C70H92ClN17O14.C2HF3O2/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44;3-2(4,5)1(6)7/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102);(H,6,7)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+;/m1./s1
(5)Std. InChIKey: QJPSZAPHZMUGOX-ANRVCLKPSA-N