Kgacdypewrwlcaa

Structural Information

Molecular Formula

C₈₀H₁₁₃N₂₁O₂₁S₂

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)N

InChI

InChI=1S/C80H113N21O21S2/c1-40(2)30-55(71(113)100-60(38-123)75(117)90-42(4)66(108)91-43(5)79(121)122)94-73(115)57(33-46-36-87-52-18-9-7-15-49(46)52)95-69(111)53(19-12-28-85-80(83)84)92-72(114)56(32-45-35-86-51-17-8-6-14-48(45)51)96-70(112)54(25-26-64(104)105)93-77(119)62-20-13-29-101(62)78(120)59(31-44-21-23-47(102)24-22-44)98-74(116)58(34-65(106)107)97-76(118)61(39-124)99-67(109)41(3)89-63(103)37-88-68(110)50(82)16-10-11-27-81/h6-9,14-15,17-18,21-24,35-36,40-43,50,53-62,86-87,102,123-124H,10-13,16,19-20,25-34,37-39,81-82H2,1-5H3,(H,88,110)(H,89,103)(H,90,117)(H,91,108)(H,92,114)(H,93,119)(H,94,115)(H,95,111)(H,96,112)(H,97,118)(H,98,116)(H,99,109)(H,100,113)(H,104,105)(H,106,107)(H,121,122)(H4,83,84,85)/t41-,42-,43-,50-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m1/s1

InChIKey

NHLKHSHVLSAUTC-GVCNIIFKSA-N

Compound name

(4R)-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]-4-[[(2R)-1-[(2R)-2-[[(2R)-3-carboxy-2-[[(2S)-2-[[(2R)-2-[[2-[[(2R)-2,6-diaminohexanoyl]amino]acetyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 49771394