(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoic acid

Structural Information

Molecular Formula

C₁₀₁H₁₅₆N₂₄O₂₂S

SMILES

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

InChI

InChI=1S/C101H156N24O22S/c1-18-53(8)80(123-93(139)73(38-39-79(127)128)118-90(136)72(33-27-42-106-101(104)105)116-86(132)61(16)112-95(141)78(48-64-50-108-70-31-24-22-29-67(64)70)122-92(138)74(40-43-148-17)117-89(135)68(103)47-63-49-107-69-30-23-21-28-66(63)69)98(144)113-56(11)84(130)110-59(14)88(134)120-77(46-62-34-36-65(126)37-35-62)94(140)111-60(15)85(131)115-71(32-25-26-41-102)91(137)121-76(45-52(6)7)96(142)124-81(54(9)19-2)99(145)114-57(12)83(129)109-58(13)87(133)119-75(44-51(4)5)97(143)125-82(100(146)147)55(10)20-3/h21-24,28-31,34-37,49-61,68,71-78,80-82,107-108,126H,18-20,25-27,32-33,38-48,102-103H2,1-17H3,(H,109,129)(H,110,130)(H,111,140)(H,112,141)(H,113,144)(H,114,145)(H,115,131)(H,116,132)(H,117,135)(H,118,136)(H,119,133)(H,120,134)(H,121,137)(H,122,138)(H,123,139)(H,124,142)(H,125,143)(H,127,128)(H,146,147)(H4,104,105,106)/t53-,54-,55-,56-,57-,58-,59-,60-,61-,68-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-,82-/m0/s1

InChIKey

ZXVHIVMBCMGUQU-LZKPKNCWSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16131468