Nh2-ile-asp-thr-lys-cys-tyr-lys-leu-glu-his-pro-val-thr-gly-cys-oh

Structural Information

Molecular Formula

C₇₄H₁₁₉N₁₉O₂₃S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)O)N

InChI

InChI=1S/C74H119N19O23S2/c1-9-38(6)57(77)69(110)87-49(30-56(100)101)66(107)91-60(40(8)95)72(113)84-45(16-11-13-25-76)62(103)89-51(33-117)67(108)86-48(28-41-18-20-43(96)21-19-41)65(106)82-44(15-10-12-24-75)61(102)85-47(27-36(2)3)64(105)83-46(22-23-55(98)99)63(104)88-50(29-42-31-78-35-80-42)73(114)93-26-14-17-53(93)68(109)90-58(37(4)5)71(112)92-59(39(7)94)70(111)79-32-54(97)81-52(34-118)74(115)116/h18-21,31,35-40,44-53,57-60,94-96,117-118H,9-17,22-30,32-34,75-77H2,1-8H3,(H,78,80)(H,79,111)(H,81,97)(H,82,106)(H,83,105)(H,84,113)(H,85,102)(H,86,108)(H,87,110)(H,88,104)(H,89,103)(H,90,109)(H,91,107)(H,92,112)(H,98,99)(H,100,101)(H,115,116)/t38-,39+,40+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,57-,58-,59-,60-/m0/s1

InChIKey

XTYABYIWDMVCFW-CFRDYUGCSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S,3R)-1-[[2-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130694