(d-his2)-lhrh trifluoroacetate

Structural Information

Molecular Formula

C₅₆H₇₆N₁₆O₁₃

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](CC5=CNC=C5)NC(=O)[C@@H]6CCC(=O)N6

InChI

InChI=1S/C56H76N16O13/c1-30(2)21-39(50(80)67-38(9-5-18-61-56(58)59)55(85)72-20-6-10-44(72)54(84)63-27-45(57)75)66-47(77)28-64-48(78)40(22-31-11-13-34(74)14-12-31)68-53(83)43(29-73)71-52(82)42(24-33-26-62-36-8-4-3-7-35(33)36)70-51(81)41(23-32-17-19-60-25-32)69-49(79)37-15-16-46(76)65-37/h3-4,7-8,11-14,17,19,25-26,30,37-44,60,62,73-74H,5-6,9-10,15-16,18,20-24,27-29H2,1-2H3,(H2,57,75)(H,63,84)(H,64,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,79)(H,70,81)(H,71,82)(H4,58,59,61)/t37-,38-,39-,40-,41+,42-,43-,44-/m0/s1

InChIKey

KUZPEJJTHNBTJU-QLOCYNDVSA-N

Compound name

(2S)-N-[(2R)-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]-1-oxo-3-(1H-pyrrol-3-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide

Related CIDs

• CID 145707681