Rg 12851

Structural Information

Molecular Formula

C₁₄₂H₂₃₅N₄₃O₄₈

SMILES

CCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)NC([C@@H](C)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N4CCC[C@H]4C(=O)N

InChI

InChI=1S/C142H235N43O48/c1-19-103(200)158-69(12)115(207)175-94(60-187)132(224)171-90(53-101(147)198)129(221)169-88(50-67(8)9)127(219)177-96(62-189)133(225)183-110(72(15)191)137(229)159-70(13)116(208)179-108(68(10)11)136(228)172-85(47-64(2)3)117(209)154-56-104(201)160-79(27-20-22-42-143)119(211)167-87(49-66(6)7)126(218)176-95(61-188)131(223)165-82(36-39-99(145)196)121(213)164-84(38-41-107(204)205)122(214)168-86(48-65(4)5)125(217)170-89(52-77-55-152-63-157-77)128(220)162-80(28-21-23-43-144)120(212)163-83(37-40-100(146)197)124(216)182-112(74(17)193)139(231)174-92(51-76-32-34-78(195)35-33-76)140(232)185-46-26-31-98(185)134(226)166-81(29-24-44-153-142(150)151)123(215)181-111(73(16)192)138(230)173-91(54-102(148)199)130(222)180-109(71(14)190)135(227)156-57-105(202)161-93(59-186)118(210)155-58-106(203)178-113(75(18)194)141(233)184-45-25-30-97(184)114(149)206/h32-35,55,63-75,79-98,108-113,186-195H,19-31,36-54,56-62,143-144H2,1-18H3,(H2,145,196)(H2,146,197)(H2,147,198)(H2,148,199)(H2,149,206)(H,152,157)(H,154,209)(H,155,210)(H,156,227)(H,158,200)(H,159,229)(H,160,201)(H,161,202)(H,162,220)(H,163,212)(H,164,213)(H,165,223)(H,166,226)(H,167,211)(H,168,214)(H,169,221)(H,170,217)(H,171,224)(H,172,228)(H,173,230)(H,174,231)(H,175,207)(H,176,218)(H,177,219)(H,178,203)(H,179,208)(H,180,222)(H,181,215)(H,182,216)(H,183,225)(H,204,205)(H4,150,151,153)/t69-,70-,71+,72?,73+,74+,75+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98?,108-,109-,110-,111-,112?,113-/m0/s1

InChIKey

OEJRXXSZWYPTRR-HLTCRTJTSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(3R)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[2-[[(2S,3R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-2-(propanoylamino)propanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130974