Nh2-lys-cys-gln-leu-lys-gly-glu-ala-met-his-gly-gln-val-asp-cys-cooh

Structural Information

Molecular Formula

C₆₆H₁₁₁N₂₁O₂₂S₃

SMILES

C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C66H111N21O22S3/c1-32(2)23-42(82-59(101)40(14-17-48(71)89)81-64(106)45(29-110)85-55(97)36(69)11-7-9-20-67)62(104)80-37(12-8-10-21-68)56(98)73-27-49(90)78-39(15-18-51(92)93)58(100)76-34(5)54(96)79-41(19-22-112-6)60(102)83-43(24-35-26-72-31-75-35)57(99)74-28-50(91)77-38(13-16-47(70)88)61(103)87-53(33(3)4)65(107)84-44(25-52(94)95)63(105)86-46(30-111)66(108)109/h26,31-34,36-46,53,110-111H,7-25,27-30,67-69H2,1-6H3,(H2,70,88)(H2,71,89)(H,72,75)(H,73,98)(H,74,99)(H,76,100)(H,77,91)(H,78,90)(H,79,96)(H,80,104)(H,81,106)(H,82,101)(H,83,102)(H,84,107)(H,85,97)(H,86,105)(H,87,103)(H,92,93)(H,94,95)(H,108,109)/t34-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,53-/m0/s1

InChIKey

QENSSEAIBIAZOB-NHPAYLPGSA-N

Compound name

(4S)-4-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]acetyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16728935