Mt-sc20ek

Structural Information

Molecular Formula

C₁₃₂H₂₀₅N₂₉O₄₀S

SMILES

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

InChI

InChI=1S/C132H205N29O40S/c1-12-69(6)106(157-120(188)85(35-21-26-57-135)141-112(180)83(33-19-24-55-133)143-124(192)98(65-105(177)178)155-123(191)96(63-75-66-139-81-31-17-15-29-78(75)81)154-119(187)90(45-51-102(171)172)144-114(182)87(42-48-99(165)166)147-122(190)97(64-76-67-140-82-32-18-16-30-79(76)82)156-131(199)109(72(9)162)160-111(179)80(138)54-60-202-11)127(195)150-92(47-53-104(175)176)116(184)146-89(44-50-101(169)170)118(186)153-95(62-74-38-40-77(164)41-39-74)126(194)161-110(73(10)163)130(198)148-84(34-20-25-56-134)113(181)142-86(36-22-27-58-136)121(189)158-107(70(7)13-2)128(196)149-91(46-52-103(173)174)115(183)145-88(43-49-100(167)168)117(185)152-94(61-68(4)5)125(193)159-108(71(8)14-3)129(197)151-93(132(200)201)37-23-28-59-137/h15-18,29-32,38-41,66-73,80,83-98,106-110,139-140,162-164H,12-14,19-28,33-37,42-65,133-138H2,1-11H3,(H,141,180)(H,142,181)(H,143,192)(H,144,182)(H,145,183)(H,146,184)(H,147,190)(H,148,198)(H,149,196)(H,150,195)(H,151,197)(H,152,185)(H,153,186)(H,154,187)(H,155,191)(H,156,199)(H,157,188)(H,158,189)(H,159,193)(H,160,179)(H,161,194)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,200,201)/t69-,70-,71-,72+,73+,80-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,106-,107-,108-,109-,110-/m0/s1

InChIKey

PBHXVSWYTXBXJN-FSWKFWHJSA-N

Compound name

(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid

Related CIDs

• CID 71596946