Asp-asp-ile-val-pro-cys-ser-met-ser-tyr-thr-trp

Structural Information

Molecular Formula

C₆₂H₈₉N₁₃O₂₁S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C62H89N13O21S2/c1-7-30(4)49(73-54(87)40(24-47(82)83)66-51(84)36(63)23-46(80)81)59(92)72-48(29(2)3)61(94)75-19-10-13-45(75)58(91)71-44(28-97)57(90)70-42(26-76)55(88)65-38(18-20-98-6)52(85)69-43(27-77)56(89)67-39(21-32-14-16-34(79)17-15-32)53(86)74-50(31(5)78)60(93)68-41(62(95)96)22-33-25-64-37-12-9-8-11-35(33)37/h8-9,11-12,14-17,25,29-31,36,38-45,48-50,64,76-79,97H,7,10,13,18-24,26-28,63H2,1-6H3,(H,65,88)(H,66,84)(H,67,89)(H,68,93)(H,69,85)(H,70,90)(H,71,91)(H,72,92)(H,73,87)(H,74,86)(H,80,81)(H,82,83)(H,95,96)/t30-,31+,36-,38-,39-,40-,41-,42-,43-,44-,45-,48-,49-,50-/m0/s1

InChIKey

WTSPDMPYSLIYND-AELFNERCSA-N

Compound name

(3S)-3-amino-4-[[(2S)-3-carboxy-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 500557