Azagly-nafarelin

Structural Information

Molecular Formula

C₆₆H₈₄N₁₈O₁₃

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)CC(=O)N1CCC[C@H]1C(=O)NNC(=O)N)NC(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8

InChI

InChI=1S/C66H84N18O13/c1-36(2)25-48(58(90)74-42(11-7-23-71-65(67)68)31-56(88)84-24-8-14-54(84)64(96)82-83-66(69)97)76-60(92)50(28-38-15-18-39-9-3-4-10-40(39)26-38)77-59(91)49(27-37-16-19-44(86)20-17-37)78-63(95)53(34-85)81-61(93)51(29-41-32-72-46-13-6-5-12-45(41)46)79-62(94)52(30-43-33-70-35-73-43)80-57(89)47-21-22-55(87)75-47/h3-6,9-10,12-13,15-20,26,32-33,35-36,42,47-54,72,85-86H,7-8,11,14,21-25,27-31,34H2,1-2H3,(H,70,73)(H,74,90)(H,75,87)(H,76,92)(H,77,91)(H,78,95)(H,79,94)(H,80,89)(H,81,93)(H,82,96)(H4,67,68,71)(H3,69,83,97)/t42-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1

InChIKey

JOHPSRCWZOGVJC-QAAVFMDQSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(3S)-1-[(2S)-2-[(carbamoylamino)carbamoyl]pyrrolidin-1-yl]-6-(diaminomethylideneamino)-1-oxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-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 156613532