Adlevvaatyv

Structural Information

Molecular Formula

C₅₂H₈₃N₁₁O₁₈

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)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/C52H83N11O18/c1-22(2)19-33(58-47(75)35(21-37(68)69)57-42(70)26(9)53)46(74)56-32(17-18-36(66)67)45(73)60-39(24(5)6)50(78)61-38(23(3)4)49(77)55-27(10)43(71)54-28(11)44(72)63-41(29(12)64)51(79)59-34(20-30-13-15-31(65)16-14-30)48(76)62-40(25(7)8)52(80)81/h13-16,22-29,32-35,38-41,64-65H,17-21,53H2,1-12H3,(H,54,71)(H,55,77)(H,56,74)(H,57,70)(H,58,75)(H,59,79)(H,60,73)(H,61,78)(H,62,76)(H,63,72)(H,66,67)(H,68,69)(H,80,81)/t26-,27-,28-,29+,32-,33-,34-,35-,38-,39-,40-,41-/m0/s1

InChIKey

CGAJNRHZCQGTJS-JQMIMGQNSA-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-[[(1S)-1-carboxy-2-methylpropyl]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 16072938