151896-15-0

Structural Information

Molecular Formula

C₁₃₂H₂₂₉N₃₅O₃₂S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)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](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C132H229N35O32S/c1-63(2)52-90(155-106(172)72(19)137)123(189)159-96(58-82-61-140-84-41-31-30-40-83(82)84)126(192)154-89(46-51-200-29)118(184)167-105(81(28)168)131(197)163-94(56-67(9)10)125(191)158-92(54-65(5)6)121(187)153-87(44-34-38-49-135)116(182)151-88(45-35-39-50-136)117(183)166-104(71(17)18)130(196)161-93(55-66(7)8)122(188)152-86(43-33-37-48-134)115(181)147-75(22)108(174)143-74(21)107(173)144-77(24)111(177)150-85(42-32-36-47-133)114(180)146-76(23)109(175)145-78(25)112(178)156-91(53-64(3)4)124(190)160-98(60-100(139)170)119(185)148-79(26)113(179)164-103(70(15)16)129(195)162-95(57-68(11)12)127(193)165-102(69(13)14)128(194)141-62-101(171)142-73(20)110(176)157-97(59-99(138)169)120(186)149-80(27)132(198)199/h30-31,40-41,61,63-81,85-98,102-105,140,168H,32-39,42-60,62,133-137H2,1-29H3,(H2,138,169)(H2,139,170)(H,141,194)(H,142,171)(H,143,174)(H,144,173)(H,145,175)(H,146,180)(H,147,181)(H,148,185)(H,149,186)(H,150,177)(H,151,182)(H,152,188)(H,153,187)(H,154,192)(H,155,172)(H,156,178)(H,157,176)(H,158,191)(H,159,189)(H,160,190)(H,161,196)(H,162,195)(H,163,197)(H,164,179)(H,165,193)(H,166,183)(H,167,184)(H,198,199)/t72-,73-,74-,75-,76-,77-,78-,79-,80-,81+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,102-,103-,104-,105-/m0/s1

InChIKey

NXQWWWGBTPUXMZ-YBLPYSLLSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]propanoic acid

Related CIDs

• CID 16130878