Ranatuerin-2p

Structural Information

Molecular Formula

C₁₂₈H₂₂₅N₃₇O₃₇S₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)CN

InChI

InChI=1S/C128H225N37O37S4/c1-21-68(14)101(126(199)165-102(71(17)166)123(196)139-58-96(172)145-91(60-204)128(201)202)163-112(185)78(36-26-31-43-133)149-122(195)90(59-203)160-109(182)76(34-24-29-41-131)147-115(188)83(48-64(6)7)153-107(180)75(33-23-28-40-130)148-119(192)88(53-97(173)174)159-116(189)84(49-65(8)9)154-110(183)79(37-44-205-19)151-117(190)85(50-73-56-137-61-140-73)144-95(171)57-138-104(177)69(15)141-113(186)82(47-63(4)5)155-118(191)86(51-92(135)168)156-106(179)74(32-22-27-39-129)146-105(178)70(16)142-124(197)99(66(10)11)161-120(193)87(52-93(136)169)157-108(181)77(35-25-30-42-132)152-125(198)100(67(12)13)162-127(200)103(72(18)167)164-121(194)89(54-98(175)176)158-111(184)80(38-45-206-20)150-114(187)81(46-62(2)3)143-94(170)55-134/h56,61-72,74-91,99-103,166-167,203-204H,21-55,57-60,129-134H2,1-20H3,(H2,135,168)(H2,136,169)(H,137,140)(H,138,177)(H,139,196)(H,141,186)(H,142,197)(H,143,170)(H,144,171)(H,145,172)(H,146,178)(H,147,188)(H,148,192)(H,149,195)(H,150,187)(H,151,190)(H,152,198)(H,153,180)(H,154,183)(H,155,191)(H,156,179)(H,157,181)(H,158,184)(H,159,189)(H,160,182)(H,161,193)(H,162,200)(H,163,185)(H,164,194)(H,165,199)(H,173,174)(H,175,176)(H,201,202)/t68-,69-,70-,71+,72+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,99-,100-,101-,102-,103-/m0/s1

InChIKey

HDQOXQBFQUGJOJ-GZLNDXKMSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2R)-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S,3R)-1-[[2-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16134114