Kai 9803

Structural Information

Molecular Formula

C₁₁₈H₁₉₆N₄₄O₃₃S₂

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N)N

InChI

InChI=1S/C118H196N44O33S2/c1-60(2)48-79(104(185)161-87(57-165)110(191)159-84(112(194)195)49-61(3)4)155-103(184)77(37-39-91(171)172)152-105(186)82(52-64-30-34-66(167)35-31-64)157-109(190)86(56-164)162-107(188)83(53-89(124)169)158-106(187)81(50-62-18-6-5-7-19-62)156-108(189)85(55-163)160-93(174)68(122)59-197-196-58-67(121)92(173)154-80(51-63-28-32-65(166)33-29-63)94(175)143-54-90(170)144-69(22-12-42-137-113(125)126)95(176)145-70(20-8-10-40-119)96(177)146-71(21-9-11-41-120)97(178)147-72(23-13-43-138-114(127)128)98(179)148-74(25-15-45-140-116(131)132)100(181)151-76(36-38-88(123)168)102(183)150-73(24-14-44-139-115(129)130)99(180)149-75(26-16-46-141-117(133)134)101(182)153-78(111(192)193)27-17-47-142-118(135)136/h5-7,18-19,28-35,60-61,67-87,163-167H,8-17,20-27,36-59,119-122H2,1-4H3,(H2,123,168)(H2,124,169)(H,143,175)(H,144,170)(H,145,176)(H,146,177)(H,147,178)(H,148,179)(H,149,180)(H,150,183)(H,151,181)(H,152,186)(H,153,182)(H,154,173)(H,155,184)(H,156,189)(H,157,190)(H,158,187)(H,159,191)(H,160,174)(H,161,185)(H,162,188)(H,171,172)(H,192,193)(H,194,195)(H4,125,126,137)(H4,127,128,138)(H4,129,130,139)(H4,131,132,140)(H4,133,134,141)(H4,135,136,142)/t67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-/m0/s1

InChIKey

WXNQMDPKECZMAO-ASGAITCASA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[[(2R)-2-amino-3-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropyl]disulfanyl]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 56841948