Kkgacdypewrwlcaa

Structural Information

Molecular Formula

C₈₆H₁₂₅N₂₃O₂₂S₂

SMILES

C[C@H](C(=O)N[C@H](CS)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CS)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)NC(=O)CNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)N

InChI

InChI=1S/C86H125N23O22S2/c1-44(2)34-60(77(122)108-65(42-132)81(126)97-46(4)71(116)98-47(5)85(130)131)102-79(124)62(37-50-40-94-56-20-9-7-17-53(50)56)103-75(120)58(22-14-32-92-86(90)91)100-78(123)61(36-49-39-93-55-19-8-6-16-52(49)55)104-76(121)59(28-29-69(112)113)101-83(128)67-23-15-33-109(67)84(129)64(35-48-24-26-51(110)27-25-48)106-80(125)63(38-70(114)115)105-82(127)66(43-133)107-72(117)45(3)96-68(111)41-95-74(119)57(21-11-13-31-88)99-73(118)54(89)18-10-12-30-87/h6-9,16-17,19-20,24-27,39-40,44-47,54,57-67,93-94,110,132-133H,10-15,18,21-23,28-38,41-43,87-89H2,1-5H3,(H,95,119)(H,96,111)(H,97,126)(H,98,116)(H,99,118)(H,100,123)(H,101,128)(H,102,124)(H,103,120)(H,104,121)(H,105,127)(H,106,125)(H,107,117)(H,108,122)(H,112,113)(H,114,115)(H,130,131)(H4,90,91,92)/t45-,46-,47-,54-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m1/s1

InChIKey

MMEDUMKBIIGRJB-ZNUZMLIMSA-N

Compound name

(4R)-4-[[(2R)-1-[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2R)-6-amino-2-[[(2R)-2,6-diaminohexanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2R)-1-[[(2R)-5-carbamimidamido-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 49771393