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Structural Information

Molecular Formula

C₅₉H₉₄N₁₄O₂₁

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C59H94N14O21/c1-24(2)21-38(69-55(89)40(23-42(78)79)68-46(80)27(7)60)54(88)67-37(19-20-41(76)77)52(86)71-44(26(5)6)57(91)72-43(25(3)4)56(90)65-31(11)49(83)63-32(12)51(85)73-45(34(14)74)58(92)70-39(22-35-15-17-36(75)18-16-35)53(87)64-30(10)48(82)61-28(8)47(81)62-29(9)50(84)66-33(13)59(93)94/h15-18,24-34,37-40,43-45,74-75H,19-23,60H2,1-14H3,(H,61,82)(H,62,81)(H,63,83)(H,64,87)(H,65,90)(H,66,84)(H,67,88)(H,68,80)(H,69,89)(H,70,92)(H,71,86)(H,72,91)(H,73,85)(H,76,77)(H,78,79)(H,93,94)/t27-,28-,29-,30-,31-,32-,33-,34+,37-,38-,39-,40-,43-,44-,45-/m0/s1

InChIKey

RPUZUIAPFSXONO-NZMZNJPXSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16072964