319432-01-4

Structural Information

Molecular Formula

C₆₁H₇₆N₁₄O₁₃

SMILES

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)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/C61H76N14O13/c1-4-63-60(87)51-14-9-21-75(51)61(88)50(31-77)74-54(81)44(22-33(2)3)68-56(83)46(24-35-27-64-41-12-7-5-10-39(35)41)70-55(82)45(23-34-15-17-38(78)18-16-34)69-59(86)49(30-76)73-57(84)47(25-36-28-65-42-13-8-6-11-40(36)42)71-58(85)48(26-37-29-62-32-66-37)72-53(80)43-19-20-52(79)67-43/h5-8,10-13,15-18,27-29,32-33,43-51,64-65,76-78H,4,9,14,19-26,30-31H2,1-3H3,(H,62,66)(H,63,87)(H,67,79)(H,68,83)(H,69,86)(H,70,82)(H,71,85)(H,72,80)(H,73,84)(H,74,81)/t43-,44-,45-,46+,47-,48-,49-,50-,51-/m0/s1

InChIKey

ROTSJSOOVZSDIQ-AVHLHLRFSA-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]-3-hydroxy-1-oxopropan-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 118856342