88848-87-7

Structural Information

Molecular Formula

C₆₁H₇₆N₁₄O₁₂

SMILES

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H](C)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/C61H76N14O12/c1-5-63-60(86)51-15-10-22-75(51)61(87)49(23-33(2)3)73-56(82)46(25-36-28-64-42-13-8-6-11-40(36)42)69-53(79)34(4)67-55(81)45(24-35-16-18-39(77)19-17-35)70-59(85)50(31-76)74-57(83)47(26-37-29-65-43-14-9-7-12-41(37)43)71-58(84)48(27-38-30-62-32-66-38)72-54(80)44-20-21-52(78)68-44/h6-9,11-14,16-19,28-30,32-34,44-51,64-65,76-77H,5,10,15,20-27,31H2,1-4H3,(H,62,66)(H,63,86)(H,67,81)(H,68,78)(H,69,79)(H,70,85)(H,71,84)(H,72,80)(H,73,82)(H,74,83)/t34-,44+,45+,46+,47+,48+,49+,50+,51+/m1/s1

InChIKey

DTPOGFHWOZMRIR-BXSMXDOGSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-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 90477005