Glu-arg-nal-cys-tyr-cit-lys-dglu-pro-tyr-arg-cit-cys-arg-nh2

Structural Information

Molecular Formula

C₈₈H₁₃₁N₂₉O₂₂S₂

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)CCC(=O)O)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O

InChI

InChI=1S/C88H131N29O22S2/c89-34-4-3-13-56-74(128)111-61(31-33-69(122)123)83(137)117-40-10-19-67(117)82(136)114-63(43-48-23-28-53(119)29-24-48)78(132)110-58(16-7-37-102-86(96)97)73(127)108-60(18-9-39-104-88(99)139)76(130)115-65(80(134)105-55(70(91)124)14-5-35-100-84(92)93)45-140-141-46-66(81(135)113-62(42-47-21-26-52(118)27-22-47)77(131)109-59(72(126)107-56)17-8-38-103-87(98)138)116-79(133)64(44-49-20-25-50-11-1-2-12-51(50)41-49)112-75(129)57(15-6-36-101-85(94)95)106-71(125)54(90)30-32-68(120)121/h1-2,11-12,20-29,41,54-67,118-119H,3-10,13-19,30-40,42-46,89-90H2,(H2,91,124)(H,105,134)(H,106,125)(H,107,126)(H,108,127)(H,109,131)(H,110,132)(H,111,128)(H,112,129)(H,113,135)(H,114,136)(H,115,130)(H,116,133)(H,120,121)(H,122,123)(H4,92,93,100)(H4,94,95,101)(H4,96,97,102)(H3,98,103,138)(H3,99,104,139)/t54-,55-,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,67-/m0/s1

InChIKey

PYKHEUUGCJFEGA-UXQLLFHVSA-N

Compound name

(4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-6-(4-aminobutyl)-20-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]-26-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-3-(2-carboxyethyl)-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]pentatriacontan-15-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131713