Ci r wcy ci k (d)kp y ci kcr

Structural Information

Molecular Formula

C₈₈H₁₃₈N₃₀O₂₀S₂

SMILES

C1C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=O)N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CCCCN)CCCNC(=O)N)CC6=CC=C(C=C6)O

InChI

InChI=1S/C88H138N30O20S2/c89-34-6-3-18-57-73(124)111-62(20-5-8-36-91)82(133)118-42-14-25-69(118)81(132)115-65(44-50-28-32-53(120)33-29-50)77(128)110-61(23-12-41-104-88(99)138)72(123)108-58(19-4-7-35-90)75(126)116-67(79(130)112-63(83(134)135)24-13-38-101-85(95)96)47-139-140-48-68(80(131)113-64(43-49-26-30-52(119)31-27-49)76(127)109-60(71(122)107-57)22-11-40-103-87(98)137)117-78(129)66(45-51-46-105-56-17-2-1-15-54(51)56)114-74(125)59(21-10-37-100-84(93)94)106-70(121)55(92)16-9-39-102-86(97)136/h1-2,15,17,26-33,46,55,57-69,105,119-120H,3-14,16,18-25,34-45,47-48,89-92H2,(H,106,121)(H,107,122)(H,108,123)(H,109,127)(H,110,128)(H,111,124)(H,112,130)(H,113,131)(H,114,125)(H,115,132)(H,116,126)(H,117,129)(H,134,135)(H4,93,94,100)(H4,95,96,101)(H3,97,102,136)(H3,98,103,137)(H3,99,104,138)/t55-,57-,58-,59-,60-,61-,62+,63-,64-,65-,66-,67-,68-,69-/m0/s1

InChIKey

APXLOBNSOGJDDR-QLUOIZOVSA-N

Compound name

(2S)-5-carbamimidamido-2-[[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3,6,23-tris(4-aminobutyl)-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(carbamoylamino)pentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-9,26-bis[3-(carbamoylamino)propyl]-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carbonyl]amino]pentanoic acid

Related CIDs

• CID 16197450