Ac-d-lys-gly-d-ser-d-leu-d-val-d-ile-d-arg-gly-d-val-d-ile-d-val-d-val-d-cys

Structural Information

Molecular Formula

C₆₂H₁₁₃N₁₇O₁₅S

SMILES

CC[C@@H](C)[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CS)C=O)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@@H](CCCCN)NC(=O)C

InChI

InChI=1S/C62H113N17O15S/c1-16-36(13)50(78-59(92)48(34(9)10)75-54(87)42(25-31(3)4)73-55(88)43(29-81)71-44(83)26-67-52(85)40(69-38(15)82)21-18-19-23-63)60(93)72-41(22-20-24-66-62(64)65)53(86)68-27-45(84)74-46(32(5)6)57(90)79-51(37(14)17-2)61(94)77-49(35(11)12)58(91)76-47(33(7)8)56(89)70-39(28-80)30-95/h28,31-37,39-43,46-51,81,95H,16-27,29-30,63H2,1-15H3,(H,67,85)(H,68,86)(H,69,82)(H,70,89)(H,71,83)(H,72,93)(H,73,88)(H,74,84)(H,75,87)(H,76,91)(H,77,94)(H,78,92)(H,79,90)(H4,64,65,66)/t36-,37-,39-,40-,41+,42-,43-,46-,47-,48-,49-,50-,51-/m1/s1

InChIKey

FOIHIQPGXCZYHW-GTQJSUBQSA-N

Compound name

(2R)-2-acetamido-6-amino-N-[2-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R,3R)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[2-[[(2R)-3-methyl-1-[[(2R,3R)-3-methyl-1-[[(2R)-3-methyl-1-[[(2R)-3-methyl-1-oxo-1-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]butan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide

Related CIDs

• CID 492246