Ovuplant

Structural Information

Molecular Formula

C₆₆H₈₆N₁₈O₁₃

SMILES

CCNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)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/C66H86N18O13/c1-4-70-56(88)33-74-64(96)54-16-10-24-84(54)65(97)47(15-9-23-71-66(67)68)77-58(90)48(25-36(2)3)78-60(92)50(27-38-30-72-44-13-7-5-11-42(38)44)80-59(91)49(26-37-17-19-41(86)20-18-37)79-63(95)53(34-85)83-61(93)51(28-39-31-73-45-14-8-6-12-43(39)45)81-62(94)52(29-40-32-69-35-75-40)82-57(89)46-21-22-55(87)76-46/h5-8,11-14,17-20,30-32,35-36,46-54,72-73,85-86H,4,9-10,15-16,21-29,33-34H2,1-3H3,(H,69,75)(H,70,88)(H,74,96)(H,76,87)(H,77,90)(H,78,92)(H,79,95)(H,80,91)(H,81,94)(H,82,89)(H,83,93)(H4,67,68,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1

InChIKey

KPSXIMVWBWSQEG-ITQXDASVSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-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 25078131