145940-57-4

Structural Information

Molecular Formula

C₆₄H₇₉N₁₉O₁₂

SMILES

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@@H]9CCC(=O)N9

InChI

InChI=1S/C64H79N19O12/c1-2-69-62(94)53-14-8-22-83(53)63(95)51(23-35-15-17-40(85)18-16-35)81-57(89)47(24-36-28-71-43-11-5-3-9-41(36)43)77-55(87)45(13-7-21-70-64(65)66)76-59(91)49(26-38-30-67-33-73-38)80-61(93)52(32-84)82-58(90)48(25-37-29-72-44-12-6-4-10-42(37)44)78-60(92)50(27-39-31-68-34-74-39)79-56(88)46-19-20-54(86)75-46/h3-6,9-12,15-18,28-31,33-34,45-53,71-72,84-85H,2,7-8,13-14,19-27,32H2,1H3,(H,67,73)(H,68,74)(H,69,94)(H,75,86)(H,76,91)(H,77,87)(H,78,92)(H,79,88)(H,80,93)(H,81,89)(H,82,90)(H4,65,66,70)/t45-,46+,47+,48+,49+,50+,51+,52+,53+/m1/s1

InChIKey

ZFXUXSFGTKDKKD-OIAWHVPDSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-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 25085793