Ac-ytslihslieesqnqqekneqel-nh2

Structural Information

Molecular Formula

C₁₁₉H₁₈₉N₃₃O₄₅

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](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)C

InChI

InChI=1S/C119H189N33O45/c1-13-56(9)94(150-111(189)74(42-54(5)6)142-115(193)81(50-154)148-108(186)77(45-61-48-128-52-129-61)146-118(196)95(57(10)14-2)151-112(190)75(43-55(7)8)143-116(194)82(51-155)149-119(197)96(58(11)156)152-113(191)76(130-59(12)157)44-60-18-20-62(158)21-19-60)117(195)140-72(30-39-93(173)174)104(182)136-71(29-38-92(171)172)107(185)147-80(49-153)114(192)139-67(25-34-86(124)162)106(184)145-79(47-88(126)164)109(187)137-66(24-33-85(123)161)101(179)132-64(22-31-83(121)159)99(177)134-68(26-35-89(165)166)102(180)131-63(17-15-16-40-120)98(176)144-78(46-87(125)163)110(188)138-69(27-36-90(167)168)103(181)133-65(23-32-84(122)160)100(178)135-70(28-37-91(169)170)105(183)141-73(97(127)175)41-53(3)4/h18-21,48,52-58,63-82,94-96,153-156,158H,13-17,22-47,49-51,120H2,1-12H3,(H2,121,159)(H2,122,160)(H2,123,161)(H2,124,162)(H2,125,163)(H2,126,164)(H2,127,175)(H,128,129)(H,130,157)(H,131,180)(H,132,179)(H,133,181)(H,134,177)(H,135,178)(H,136,182)(H,137,187)(H,138,188)(H,139,192)(H,140,195)(H,141,183)(H,142,193)(H,143,194)(H,144,176)(H,145,184)(H,146,196)(H,147,185)(H,148,186)(H,149,197)(H,150,189)(H,151,190)(H,152,191)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H,173,174)/t56-,57-,58+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,94-,95-,96-/m0/s1

InChIKey

OCUUGXFVBGAAJB-MVMSLKFZSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130187