Ac-ediislwdqs lkpcvkltpl cvslkctdlk-nh2

Structural Information

Molecular Formula

C₁₅₃H₂₅₇N₃₇O₄₅S₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C

InChI

InChI=1S/C153H257N37O45S3/c1-24-81(19)120(186-150(232)121(82(20)25-2)185-138(220)104(65-117(204)205)173-127(209)92(161-85(23)196)47-49-114(198)199)149(231)179-107(69-193)141(223)171-98(59-76(9)10)132(214)172-101(62-86-66-160-88-39-27-26-38-87(86)88)134(216)174-102(63-115(200)201)135(217)164-93(46-48-113(158)197)128(210)177-105(67-191)139(221)170-97(58-75(7)8)131(213)166-94(43-31-35-53-157)152(234)189-54-36-44-111(189)146(228)182-110(72-238)143(225)183-118(79(15)16)147(229)165-91(42-30-34-52-156)125(207)167-100(61-78(13)14)137(219)188-123(84(22)195)153(235)190-55-37-45-112(190)145(227)175-99(60-77(11)12)133(215)181-108(70-236)142(224)184-119(80(17)18)148(230)178-106(68-192)140(222)169-96(57-74(5)6)130(212)163-90(41-29-33-51-155)126(208)180-109(71-237)144(226)187-122(83(21)194)151(233)176-103(64-116(202)203)136(218)168-95(56-73(3)4)129(211)162-89(124(159)206)40-28-32-50-154/h26-27,38-39,66,73-84,89-112,118-123,160,191-195,236-238H,24-25,28-37,40-65,67-72,154-157H2,1-23H3,(H2,158,197)(H2,159,206)(H,161,196)(H,162,211)(H,163,212)(H,164,217)(H,165,229)(H,166,213)(H,167,207)(H,168,218)(H,169,222)(H,170,221)(H,171,223)(H,172,214)(H,173,209)(H,174,216)(H,175,227)(H,176,233)(H,177,210)(H,178,230)(H,179,231)(H,180,208)(H,181,215)(H,182,228)(H,183,225)(H,184,224)(H,185,220)(H,186,232)(H,187,226)(H,188,219)(H,198,199)(H,200,201)(H,202,203)(H,204,205)/t81-,82-,83+,84+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,118-,119-,120-,121-,122-,123-/m0/s1

InChIKey

XBTZHXSXIYHVPO-RNAANKEYSA-N

Compound name

(4S)-4-acetamido-5-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2R)-1-[[(2S,3R)-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16204863