Chembl1201309

Structural Information

Molecular Formula

C₆₆H₈₃N₁₇O₁₃

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CC=CC3=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/C66H83N17O13/c1-36(2)26-48(58(89)76-47(16-8-24-71-66(68)69)65(96)83-25-9-17-54(83)64(95)73-33-55(67)86)77-60(91)50(28-39-12-7-11-38-10-3-4-13-43(38)39)79-59(90)49(27-37-18-20-42(85)21-19-37)78-63(94)53(34-84)82-61(92)51(29-40-31-72-45-15-6-5-14-44(40)45)80-62(93)52(30-41-32-70-35-74-41)81-57(88)46-22-23-56(87)75-46/h3-7,10-15,18-21,31-32,35-36,46-54,72,84-85H,8-9,16-17,22-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,94)(H,79,90)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1

InChIKey

PPXLVGBVOZLEIW-ITQXDASVSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-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 49800010
• CID 49800011