(4s)-4-[[(2s,3r)-2-[[(2s)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-[[(1s)-1-[[(1s)-1-[[(1s)-1-[(2s)-2-[[(2-ethoxy-2-oxo-acetyl)-propyl-amino]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-5-oxo-pentanoic acid

Structural Information

Molecular Formula

C₄₁H₆₅N₉O₁₈

SMILES

CCCN(C(=O)C(=O)OCC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

InChI

InChI=1S/C41H65N9O18/c1-9-15-50(40(66)41(67)68-10-2)48-36(62)26-12-11-16-49(26)39(65)31(20(5)6)46-37(63)30(19(3)4)45-35(61)25(18-29(57)58)44-33(59)23(13-14-27(53)54)43-38(64)32(21(7)51)47-34(60)24(17-28(55)56)42-22(8)52/h19-21,23-26,30-32,51H,9-18H2,1-8H3,(H,42,52)(H,43,64)(H,44,59)(H,45,61)(H,46,63)(H,47,60)(H,48,62)(H,53,54)(H,55,56)(H,57,58)/t21-,23+,24+,25+,26+,30+,31+,32+/m1/s1

InChIKey

RVVJADZROFIWOK-XTXFBALLSA-N

Compound name

(4S)-4-[[(2S,3R)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2-ethoxy-2-oxoacetyl)-propylamino]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 492532