Nh2-lys-gly-glu-ala-met-his-gly-gln-val-asp-cys-ser-pro-gly-ile-cooh

Structural Information

Molecular Formula

C₆₂H₁₀₁N₁₉O₂₂S₂

SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C62H101N19O22S2/c1-7-31(4)50(62(102)103)79-46(86)26-69-59(99)42-12-10-19-81(42)61(101)40(27-82)77-58(98)41(28-104)78-57(97)39(22-48(89)90)76-60(100)49(30(2)3)80-56(96)35(13-15-43(65)83)72-45(85)25-68-53(93)38(21-33-23-66-29-70-33)75-55(95)37(17-20-105-6)74-51(91)32(5)71-54(94)36(14-16-47(87)88)73-44(84)24-67-52(92)34(64)11-8-9-18-63/h23,29-32,34-42,49-50,82,104H,7-22,24-28,63-64H2,1-6H3,(H2,65,83)(H,66,70)(H,67,92)(H,68,93)(H,69,99)(H,71,94)(H,72,85)(H,73,84)(H,74,91)(H,75,95)(H,76,100)(H,77,98)(H,78,97)(H,79,86)(H,80,96)(H,87,88)(H,89,90)(H,102,103)/t31-,32-,34-,35-,36-,37-,38-,39-,40-,41-,42-,49-,50-/m0/s1

InChIKey

GJGGXSREHMRMNP-NVDYTBJCSA-N

Compound name

(2S,3S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16728936