(6-(3-(Dicyclohexylmethyl)-D-alanine))-LHRH acetate
[CAS# 82318-05-6]

Identification

• Name: (6-(3-(Dicyclohexylmethyl)-D-alanine))-LHRH acetate
• Synonyms: Acetic Acid; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-1-[[(1S)-1-[[(1S)-1-[(2S)-2-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]Pyrrolidine-1-Carbonyl]-4-Guanidino-Butyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]-3,3-Dicyclohexyl-Propyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-1-(5H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]-5-Oxo-Pyrrolidine-2-Carboxamide; Acetic Acid; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-1-[[[(1S)-1-[[[(1S)-1-[[(2S)-2-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]-1-Pyrrolidinyl]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-Oxomethyl]-3,3-Dicyclohexylpropyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-1-(5H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-5-Oxo-2-Pyrrolidinecarboxamide; Acetic Acid; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-1-[[(1S)-1-[[(1S)-1-[(2S)-2-[(2-Amino-2-Keto-Ethyl)Carbamoyl]Pyrrolidine-1-Carbonyl]-4-Guanidino-Butyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]-3,3-Dicyclohexyl-Propyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-2-Keto-1-Methylol-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-1-(5H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]-5-Keto-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₇₁H₁₀₃N₁₇O₁₅
• Molecular Weight: 1434.70
• CAS Registry Number: 82318-05-6
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)CC1)CC2=NC=NC2)CC3=C[NH]C4=CC=CC=C34)CO)CC5=CC=C(O)C=C5)(CC(C6CCCCC6)C7CCCCC7)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N8[C@@H](CCC8)C(=O)NCC(=O)N.CC(O)=O
• InChI: 1S/C69H99N17O13.C2H4O2/c1-39(2)29-51(61(92)79-50(19-11-27-74-69(71)72)68(99)86-28-12-20-57(86)67(98)76-36-58(70)89)80-65(96)55(33-47(41-13-5-3-6-14-41)42-15-7-4-8-16-42)84-62(93)52(30-40-21-23-45(88)24-22-40)81-66(97)56(37-87)85-63(94)53(31-43-34-75-48-18-10-9-17-46(43)48)82-64(95)54(32-44-35-73-38-77-44)83-60(91)49-25-26-59(90)78-49;1-2(3)4/h9-10,17-18,21-24,34,38-39,41-42,47,49-57,75,87-88H,3-8,11-16,19-20,25-33,35-37H2,1-2H3,(H2,70,89)(H,76,98)(H,78,90)(H,79,92)(H,80,96)(H,81,97)(H,82,95)(H,83,91)(H,84,93)(H,85,94)(H4,71,72,74);1H3,(H,3,4)/t49-,50-,51-,52-,53-,54-,55+,56-,57-;/m0./s1
• InChIKey: CNAZZTIVRMKWRB-VKZXGMKFSA-N