Nh2-cys-arg-thr-his-asp-met-cys-pro-asp-val-met-ser-ala-gly-glu-ser-oh

Structural Information

Molecular Formula

C₆₆H₁₀₇N₂₁O₂₆S₄

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)N)O

InChI

InChI=1S/C66H107N21O26S4/c1-29(2)49(62(109)78-37(14-18-117-6)54(101)82-41(24-88)60(107)74-30(3)51(98)72-23-45(91)75-35(11-12-46(92)93)53(100)83-42(25-89)65(112)113)85-59(106)40(21-48(96)97)80-61(108)44-10-8-16-87(44)64(111)43(27-115)84-55(102)36(13-17-116-5)77-58(105)39(20-47(94)95)79-57(104)38(19-32-22-70-28-73-32)81-63(110)50(31(4)90)86-56(103)34(9-7-15-71-66(68)69)76-52(99)33(67)26-114/h22,28-31,33-44,49-50,88-90,114-115H,7-21,23-27,67H2,1-6H3,(H,70,73)(H,72,98)(H,74,107)(H,75,91)(H,76,99)(H,77,105)(H,78,109)(H,79,104)(H,80,108)(H,81,110)(H,82,101)(H,83,100)(H,84,102)(H,85,106)(H,86,103)(H,92,93)(H,94,95)(H,96,97)(H,112,113)(H4,68,69,71)/t30-,31+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,49-,50-/m0/s1

InChIKey

KCKYCKZDRQXQIW-QXGPTCSISA-N

Compound name

(4S)-4-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-5-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 25078081