151896-16-1

Structural Information

Molecular Formula

C₁₂₈H₂₂₃N₃₇O₃₅

SMILES

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

InChI

InChI=1S/C128H223N37O35/c1-24-66(12)99(163-115(186)85(45-31-37-51-133)152-120(191)90(59-166)158-119(190)88(54-78-57-137-80-40-26-25-39-79(78)80)155-118(189)87(53-61(2)3)149-93(171)56-135)125(196)154-86(46-32-38-52-134)116(187)164-100(76(22)168)126(197)146-67(13)102(173)138-58-94(172)148-81(41-27-33-47-129)114(185)157-91(60-167)121(192)161-95(62(4)5)122(193)147-72(18)107(178)151-83(43-29-35-49-131)112(183)142-69(15)104(175)139-68(14)103(174)140-71(17)106(177)150-82(42-28-34-48-130)111(182)143-70(16)105(176)141-73(19)108(179)159-96(63(6)7)123(194)153-84(44-30-36-50-132)113(184)144-74(20)109(180)160-97(64(8)9)124(195)165-101(77(23)169)127(198)156-89(55-92(136)170)117(188)145-75(21)110(181)162-98(65(10)11)128(199)200/h25-26,39-40,57,61-77,81-91,95-101,137,166-169H,24,27-38,41-56,58-60,129-135H2,1-23H3,(H2,136,170)(H,138,173)(H,139,175)(H,140,174)(H,141,176)(H,142,183)(H,143,182)(H,144,184)(H,145,188)(H,146,197)(H,147,193)(H,148,172)(H,149,171)(H,150,177)(H,151,178)(H,152,191)(H,153,194)(H,154,196)(H,155,189)(H,156,198)(H,157,185)(H,158,190)(H,159,179)(H,160,180)(H,161,192)(H,162,181)(H,163,186)(H,164,187)(H,165,195)(H,199,200)/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,95-,96-,97-,98-,99-,100-,101-/m0/s1

InChIKey

NTPSZXCIQXGXMG-QVNTXYBBSA-N

Compound name

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

Related CIDs

• CID 16130879