Unii-616bv6u9g8

Structural Information

Molecular Formula

C₈₂H₁₂₄N₂₄O₂₇S₂

SMILES

CC(C)C[C@H]1C(=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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CO)CO)CO)CC(=O)N)CC(=O)O)CC2=CC=C(C=C2)O)CC3=CC=C(C=C3)O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C82H124N24O27S2/c1-39(2)27-51-69(121)105-61(78(130)94-48(9-5-6-24-83)66(118)92-49(10-7-25-90-81(86)87)67(119)96-53(29-42-14-20-45(112)21-15-42)70(122)93-50(11-8-26-91-82(88)89)68(120)104-60(36-110)80(132)133)38-135-134-37-47(84)65(117)95-52(28-41-12-18-44(111)19-13-41)71(123)97-54(30-43-16-22-46(113)23-17-43)72(124)99-56(32-63(115)116)74(126)98-55(31-62(85)114)73(125)101-57(33-107)75(127)102-58(34-108)76(128)103-59(35-109)77(129)106-64(40(3)4)79(131)100-51/h12-23,39-40,47-61,64,107-113H,5-11,24-38,83-84H2,1-4H3,(H2,85,114)(H,92,118)(H,93,122)(H,94,130)(H,95,117)(H,96,119)(H,97,123)(H,98,126)(H,99,124)(H,100,131)(H,101,125)(H,102,127)(H,103,128)(H,104,120)(H,105,121)(H,106,129)(H,115,116)(H,132,133)(H4,86,87,90)(H4,88,89,91)/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1

InChIKey

KLWPNIRYLYZAHQ-OQGSPRNHSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34R)-34-amino-22-(2-amino-2-oxoethyl)-25-(carboxymethyl)-13,16,19-tris(hydroxymethyl)-28,31-bis[(4-hydroxyphenyl)methyl]-7-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoic acid

Related CIDs

• CID 163203601