D10-p1

Structural Information

Molecular Formula

C₈₁H₁₁₉N₂₇O₂₀S₂

SMILES

C[C@@H]1C(=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)N[C@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N1)CCC(=O)O)NC(=O)[C@@H](C)NC(=O)CNC(=O)C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N)CC(C)C)CC2=CNC3=CC=CC=C32)C)CC4=CNC5=CC=CC=C54)CCCO)CCCNC(=N)N)CC6=CN=CN6)CCCNC(=N)N

InChI

InChI=1S/C81H119N27O20S2/c1-39(2)28-57-75(124)108-61(78(127)98-42(5)66(115)95-40(3)65(82)114)36-129-130-37-62(107-67(116)41(4)94-63(111)35-90-45(8)110)79(128)102-56(23-24-64(112)113)70(119)96-43(6)68(117)99-53(20-13-25-88-80(83)84)72(121)106-60(31-48-34-87-38-93-48)77(126)101-54(21-14-26-89-81(85)86)71(120)100-55(22-15-27-109)73(122)105-58(29-46-32-91-51-18-11-9-16-49(46)51)74(123)97-44(7)69(118)103-59(76(125)104-57)30-47-33-92-52-19-12-10-17-50(47)52/h9-12,16-19,32-34,38-44,53-62,91-92,109H,13-15,20-31,35-37H2,1-8H3,(H2,82,114)(H,87,93)(H,90,110)(H,94,111)(H,95,115)(H,96,119)(H,97,123)(H,98,127)(H,99,117)(H,100,120)(H,101,126)(H,102,128)(H,103,118)(H,104,125)(H,105,122)(H,106,121)(H,107,116)(H,108,124)(H,112,113)(H4,83,84,88)(H4,85,86,89)/t40-,41-,42-,43-,44-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m1/s1

InChIKey

NIUPTMSASTUVBU-SHEAHNOUSA-N

Compound name

3-[(4S,7R,10R,13R,16R,19R,22R,25R,28R,31R,34R,37S)-37-[[(2R)-2-[(2-acetamidoacetyl)amino]propanoyl]amino]-4-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-22,28-bis(3-carbamimidamidopropyl)-19-(3-hydroxypropyl)-25-(1H-imidazol-5-ylmethyl)-10,16-bis(1H-indol-3-ylmethyl)-13,31-dimethyl-7-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-34-yl]propanoic acid

Related CIDs

• CID 16197553