t-Butoxycarbonylleucyl-leucyl-leucyl-leucyl-aminoisobutyryl-leucyl-leucyl-leucyl-leucyl-aminoisobutyric acid benzyl ester

The molecular formula is C68H118N10O13.

The molecular weight is 1283.7 g/mol.

The IUPAC name is benzyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate.

The InChI is InChI=1S/C68H118N10O13/c1-38(2)29-47(55(79)69-50(32-41(7)8)58(82)74-54(36-45(15)16)62(86)78-68(22,23)64(88)90-37-46-27-25-24-26-28-46)71-59(83)51(33-42(9)10)75-63(87)67(20,21)77-61(85)53(35-44(13)14)73-57(81)49(31-40(5)6)70-56(80)48(30-39(3)4)72-60(84)52(34-43(11)12)76-65(89)91-66(17,18)19/h24-28,38-45,47-54H,29-37H2,1-23H3,(H,69,79)(H,70,80)(H,71,83)(H,72,84)(H,73,81)(H,74,82)(H,75,87)(H,76,89)(H,77,85)(H,78,86)/t47-,48-,49-,50-,51-,52-,53-,54-/m0/s1.

The InChIKey is ZSBZOBDNPKXZBC-MVLCJGSFSA-N.

The Canonical SMILES is CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)OCC1=CC=CC=C1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C.

The CAS number is 99593-01-8.

The XLogP3-AA value is 11.4.

There are 10 hydrogen bond donor counts.

The topological polar surface area is 327 Ų.