(des-gly10,des-ser4,d-leu6,pro-nhet9)-lhrh

Structural Information

Molecular Formula

C₅₆H₇₉N₁₅O₁₀

SMILES

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6

InChI

InChI=1S/C56H79N15O10/c1-6-60-54(80)46-14-10-22-71(46)55(81)40(13-9-21-61-56(57)58)65-49(75)41(23-31(2)3)66-50(76)42(24-32(4)5)67-51(77)43(25-33-15-17-36(72)18-16-33)68-52(78)44(26-34-28-62-38-12-8-7-11-37(34)38)69-53(79)45(27-35-29-59-30-63-35)70-48(74)39-19-20-47(73)64-39/h7-8,11-12,15-18,28-32,39-46,62,72H,6,9-10,13-14,19-27H2,1-5H3,(H,59,63)(H,60,80)(H,64,73)(H,65,75)(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,70,74)(H4,57,58,61)/t39-,40-,41-,42+,43-,44-,45-,46-/m0/s1

InChIKey

MMKAEZTWGFDHGK-OFHYFIBLSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Related CIDs

• CID 101013241