C14wt

Structural Information

Molecular Formula

C₈₇H₁₂₂N₂₂O₂₈S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)CCC(=O)O

InChI

InChI=1S/C87H122N22O28S2/c1-7-41(2)70(85(136)106-61(37-64(89)114)82(133)103-60(36-63(88)113)81(132)101-57(33-44-18-20-47(112)21-19-44)84(135)108-71(42(3)110)73(90)124)107-77(128)54(23-26-67(118)119)99-74(125)52(17-12-30-93-87(91)92)97-83(134)62(38-69(122)123)104-80(131)58(34-45-39-94-50-15-10-8-13-48(45)50)102-75(126)53(22-25-66(116)117)98-76(127)56(29-32-139-6)100-79(130)59(35-46-40-95-51-16-11-9-14-49(46)51)105-86(137)72(43(4)111)109-78(129)55(28-31-138-5)96-65(115)24-27-68(120)121/h8-11,13-16,18-21,39-43,52-62,70-72,94-95,110-112H,7,12,17,22-38H2,1-6H3,(H2,88,113)(H2,89,114)(H2,90,124)(H,96,115)(H,97,134)(H,98,127)(H,99,125)(H,100,130)(H,101,132)(H,102,126)(H,103,133)(H,104,131)(H,105,137)(H,106,136)(H,107,128)(H,108,135)(H,109,129)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H4,91,92,93)/t41-,42+,43+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,70-,71-,72-/m0/s1

InChIKey

MUKSQAXBKUSELU-XHFRSJLQSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-(3-carboxypropanoylamino)-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131493