6-biotinyllysine-gnrh

Structural Information

Molecular Formula

C₆₉H₉₈N₂₀O₁₅S

SMILES

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CCCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8

InChI

InChI=1S/C69H98N20O15S/c1-37(2)27-47(61(97)81-46(14-9-25-75-68(71)72)67(103)89-26-10-15-53(89)66(102)77-33-55(70)92)82-59(95)44(13-7-8-24-74-56(93)17-6-5-16-54-58-52(35-105-54)87-69(104)88-58)80-62(98)48(28-38-18-20-41(91)21-19-38)83-65(101)51(34-90)86-63(99)49(29-39-31-76-43-12-4-3-11-42(39)43)84-64(100)50(30-40-32-73-36-78-40)85-60(96)45-22-23-57(94)79-45/h3-4,11-12,18-21,31-32,36-37,44-54,58,76,90-91H,5-10,13-17,22-30,33-35H2,1-2H3,(H2,70,92)(H,73,78)(H,74,93)(H,77,102)(H,79,94)(H,80,98)(H,81,97)(H,82,95)(H,83,101)(H,84,100)(H,85,96)(H,86,99)(H4,71,72,75)(H2,87,88,104)

InChIKey

INAOWBAXNUXFGL-UHFFFAOYSA-N

Compound name

N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexan-2-yl]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]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Related CIDs

• CID 25079041