D10-p6

Structural Information

Molecular Formula

C₇₉H₁₁₃N₂₃O₂₄S₂

SMILES

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

InChI

InChI=1S/C79H113N23O24S2/c1-37(2)27-52-70(118)101-57(75(123)90-40(5)65(113)89-38(3)64(81)112)35-127-128-36-58(100-66(114)39(4)88-61(107)32-85-41(6)105)76(124)99-55(33-103)73(121)91-48(17-11-25-84-79(82)83)67(115)98-56(34-104)74(122)94-51(19-22-60(80)106)78(126)102-26-12-18-59(102)77(125)93-50(21-24-63(110)111)69(117)96-53(28-42-30-86-46-15-9-7-13-44(42)46)71(119)92-49(20-23-62(108)109)68(116)97-54(72(120)95-52)29-43-31-87-47-16-10-8-14-45(43)47/h7-10,13-16,30-31,37-40,48-59,86-87,103-104H,11-12,17-29,32-36H2,1-6H3,(H2,80,106)(H2,81,112)(H,85,105)(H,88,107)(H,89,113)(H,90,123)(H,91,121)(H,92,119)(H,93,125)(H,94,122)(H,95,120)(H,96,117)(H,97,116)(H,98,115)(H,99,124)(H,100,114)(H,101,118)(H,108,109)(H,110,111)(H4,82,83,84)/t38-,39-,40-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m1/s1

InChIKey

ULERCOWSLFXLMI-VAFGLVRGSA-N

Compound name

3-[(3R,6R,9R,12R,15S,20S,23R,26R,29R,32R,35R,38R)-15-[[(2R)-2-[(2-acetamidoacetyl)amino]propanoyl]amino]-20-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-3-(3-amino-3-oxopropyl)-9-(3-carbamimidamidopropyl)-29-(2-carboxyethyl)-6,12-bis(hydroxymethyl)-26,32-bis(1H-indol-3-ylmethyl)-23-(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 16197560