5(rpr)-tasp

Structural Information

Molecular Formula

C₁₃₂H₂₄₂N₆₀O₂₈S

SMILES

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

InChI

InChI=1S/C132H242N60O28S/c133-50-6-1-32-85(178-107(204)86(179-109(206)88(41-20-64-172-132(157)158)186-116(213)96-47-26-70-192(96)121(218)78(138)31-15-59-167-127(147)148)35-4-9-53-161-102(199)83(39-18-62-170-130(153)154)183-114(211)94-45-24-68-190(94)119(216)76(136)29-13-57-165-125(143)144)106(203)176-80(34-3-8-52-160-101(198)82(38-17-61-169-129(151)152)182-113(210)93-44-23-67-189(93)118(215)75(135)28-12-56-164-124(141)142)105(202)174-72-98(194)187-65-21-42-91(187)111(208)185-87(36-5-10-54-162-103(200)84(40-19-63-171-131(155)156)184-115(212)95-46-25-69-191(95)120(217)77(137)30-14-58-166-126(145)146)108(205)180-89(48-49-99(195)196)110(207)177-79(104(201)173-71-97(193)175-90(73-221)122(219)220)33-2-7-51-159-100(197)81(37-16-60-168-128(149)150)181-112(209)92-43-22-66-188(92)117(214)74(134)27-11-55-163-123(139)140/h74-96,221H,1-73,133-138H2,(H,159,197)(H,160,198)(H,161,199)(H,162,200)(H,173,201)(H,174,202)(H,175,193)(H,176,203)(H,177,207)(H,178,204)(H,179,206)(H,180,205)(H,181,209)(H,182,210)(H,183,211)(H,184,212)(H,185,208)(H,186,213)(H,195,196)(H,219,220)(H4,139,140,163)(H4,141,142,164)(H4,143,144,165)(H4,145,146,166)(H4,147,148,167)(H4,149,150,168)(H4,151,152,169)(H4,153,154,170)(H4,155,156,171)(H4,157,158,172)/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

HJOWARXAZJTVQW-ZIZZHJTASA-N

Compound name

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

Related CIDs

• CID 16130729