5(kpq)-tasp

Structural Information

Molecular Formula

C₁₂₇H₂₂₂N₄₀O₃₃S

SMILES

C1C[C@H](N(C1)C(=O)CNC(=O)[C@H](CCCCNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)N)C(=O)N[C@@H](CCCCNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCCN)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCN)N)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

InChI

InChI=1S/C127H222N40O33S/c128-55-11-1-27-74(134)122(194)163-66-22-38-92(163)117(189)157-84(43-49-97(139)168)105(177)144-61-17-7-33-79(109(181)148-71-102(173)150-90(73-201)127(199)200)152-115(187)89(48-54-104(175)176)155-113(185)83(36-10-20-64-147-108(180)87(46-52-100(142)171)160-120(192)95-41-25-69-166(95)125(197)77(137)30-4-14-58-131)156-116(188)91-37-21-65-162(91)103(174)72-149-110(182)80(34-8-18-62-145-106(178)85(44-50-98(140)169)158-118(190)93-39-23-67-164(93)123(195)75(135)28-2-12-56-129)151-111(183)81(32-6-16-60-133)153-112(184)82(154-114(186)88(47-53-101(143)172)161-121(193)96-42-26-70-167(96)126(198)78(138)31-5-15-59-132)35-9-19-63-146-107(179)86(45-51-99(141)170)159-119(191)94-40-24-68-165(94)124(196)76(136)29-3-13-57-130/h74-96,201H,1-73,128-138H2,(H2,139,168)(H2,140,169)(H2,141,170)(H2,142,171)(H2,143,172)(H,144,177)(H,145,178)(H,146,179)(H,147,180)(H,148,181)(H,149,182)(H,150,173)(H,151,183)(H,152,187)(H,153,184)(H,154,186)(H,155,185)(H,156,188)(H,157,189)(H,158,190)(H,159,191)(H,160,192)(H,161,193)(H,175,176)(H,199,200)/t74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-/m0/s1

InChIKey

REAZWEIMJNINHZ-ZIZZHJTASA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-bis[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-6-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-[[(2S)-6-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-1-[[2-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130735