N-[(2s,4s,6s)-6-hydroxy-4-methyl-2-({1-[(2r)-2-methyldecanoyl]-l-prolyl}amino)-8-oxodecanoyl]-2-methylalanyl-2-methylalanyl-l-isoleucyl-l-valyl-2-methylalanyl-n-{(2s)-1-[(2-hydroxyethyl)(methyl)amino]propan-2-yl}-2-methylalaninamide

Structural Information

Molecular Formula

C₆₀H₁₁₀N₁₀O₁₂

SMILES

CCCCCCCC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C[C@H](C)C[C@@H](CC(=O)CC)O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)CCO

InChI

InChI=1S/C60H110N10O12/c1-19-22-23-24-25-26-28-40(8)52(78)70-30-27-29-45(70)49(75)62-44(34-38(6)33-43(73)35-42(72)21-3)48(74)65-59(14,15)55(81)68-58(12,13)54(80)64-47(39(7)20-2)50(76)63-46(37(4)5)51(77)66-60(16,17)56(82)67-57(10,11)53(79)61-41(9)36-69(18)31-32-71/h37-41,43-47,71,73H,19-36H2,1-18H3,(H,61,79)(H,62,75)(H,63,76)(H,64,80)(H,65,74)(H,66,77)(H,67,82)(H,68,81)/t38-,39?,40-,41+,43+,44+,45+,46+,47+/m1/s1

InChIKey

RGISVIXWCPPDKV-WJTKPRJUSA-N

Compound name

(2S)-N-[(2S,4S,6S)-6-hydroxy-1-[[1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide

Related CIDs

• CID 46871859