Hyp(9)-lhrh

Structural Information

Molecular Formula

C₅₅H₇₅N₁₇O₁₄

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1C[C@@H](C[C@H]1C(=O)NCC(=O)N)O)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=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6

InChI

InChI=1S/C55H75N17O14/c1-28(2)16-38(49(81)67-37(8-5-15-60-55(57)58)54(86)72-25-33(75)20-43(72)53(85)62-23-44(56)76)66-46(78)24-63-47(79)39(17-29-9-11-32(74)12-10-29)68-52(84)42(26-73)71-50(82)40(18-30-21-61-35-7-4-3-6-34(30)35)69-51(83)41(19-31-22-59-27-64-31)70-48(80)36-13-14-45(77)65-36/h3-4,6-7,9-12,21-22,27-28,33,36-43,61,73-75H,5,8,13-20,23-26H2,1-2H3,(H2,56,76)(H,59,64)(H,62,85)(H,63,79)(H,65,77)(H,66,78)(H,67,81)(H,68,84)(H,69,83)(H,70,80)(H,71,82)(H4,57,58,60)/t33-,36+,37+,38+,39+,40+,41+,42+,43+/m1/s1

InChIKey

IFKVSSKFSAFSGI-RZYUWSBYSA-N

Compound name

(2S,4R)-N-(2-amino-2-oxoethyl)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]pentanoyl]-4-hydroxypyrrolidine-2-carboxamide

Related CIDs

• CID 3081547