113962-45-1

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)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=CCC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8

InChI

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

InChIKey

ZHRFMOODSHQHJU-ITQXDASVSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(carbamoylamino)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-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-(3H-inden-1-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Related CIDs

• CID 25078102