D10-p7-2k

Structural Information

Molecular Formula

C₉₂H₁₄₂N₂₆O₂₁S₂

SMILES

C[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCC(=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)N1)CCCNC(=N)N)CC(C)C)CC(C)C)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N)CC(C)C)CC3=CNC4=CC=CC=C43)CC5=CNC6=CC=CC=C65)CCC(=O)O

InChI

InChI=1S/C92H142N26O21S2/c1-47(2)36-65-84(132)110-63(28-20-34-98-92(96)97)81(129)106-53(10)91(139)118-35-21-29-72(118)90(138)111-64(30-31-75(122)123)83(131)115-68(39-55-41-99-59-24-14-12-22-57(55)59)80(128)102-44-74(121)108-69(40-56-42-100-60-25-15-13-23-58(56)60)87(135)113-67(38-49(5)6)86(134)117-70(88(136)105-52(9)77(125)104-50(7)76(95)124)45-140-141-46-71(89(137)114-66(37-48(3)4)85(133)112-65)116-78(126)51(8)103-73(120)43-101-79(127)61(26-16-18-32-93)109-82(130)62(107-54(11)119)27-17-19-33-94/h12-15,22-25,41-42,47-53,61-72,99-100H,16-21,26-40,43-46,93-94H2,1-11H3,(H2,95,124)(H,101,127)(H,102,128)(H,103,120)(H,104,125)(H,105,136)(H,106,129)(H,107,119)(H,108,121)(H,109,130)(H,110,132)(H,111,138)(H,112,133)(H,113,135)(H,114,137)(H,115,131)(H,116,126)(H,117,134)(H,122,123)(H4,96,97,98)/t50-,51-,52-,53-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m1/s1

InChIKey

SXJMROXLPPIWOD-XRTMJTFBSA-N

Compound name

3-[(3R,6R,9R,12R,15S,20S,23R,26R,32R,35R,38R)-15-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-2-acetamido-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]acetyl]amino]propanoyl]amino]-20-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-6-(3-carbamimidamidopropyl)-26,32-bis(1H-indol-3-ylmethyl)-3-methyl-9,12,23-tris(2-methylpropyl)-2,5,8,11,14,22,25,28,31,34,37-undecaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-35-yl]propanoic acid

Related CIDs

• CID 16197561