Nh2-pro-gly-ile-trp-gln-leu-asp-cys-thr-his-leu-glu-gly-lys-ile-cooh

Structural Information

Molecular Formula

C₇₇H₁₂₀N₂₀O₂₂S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)CNC(=O)[C@@H]4CCCN4

InChI

InChI=1S/C77H120N20O22S/c1-10-40(7)62(95-59(101)35-83-65(106)47-20-16-26-81-47)75(116)92-53(29-43-32-82-46-18-13-12-17-45(43)46)71(112)88-50(21-23-57(79)99)67(108)89-52(28-39(5)6)70(111)91-55(31-61(104)105)73(114)94-56(36-120)74(115)97-64(42(9)98)76(117)93-54(30-44-33-80-37-85-44)72(113)90-51(27-38(3)4)69(110)87-49(22-24-60(102)103)66(107)84-34-58(100)86-48(19-14-15-25-78)68(109)96-63(77(118)119)41(8)11-2/h12-13,17-18,32-33,37-42,47-56,62-64,81-82,98,120H,10-11,14-16,19-31,34-36,78H2,1-9H3,(H2,79,99)(H,80,85)(H,83,106)(H,84,107)(H,86,100)(H,87,110)(H,88,112)(H,89,108)(H,90,113)(H,91,111)(H,92,116)(H,93,117)(H,94,114)(H,95,101)(H,96,109)(H,97,115)(H,102,103)(H,104,105)(H,118,119)/t40-,41-,42+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,62-,63-,64-/m0/s1

InChIKey

JXFVOJPPOKSWDA-UESNOYLBSA-N

Compound name

(2S,3S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S,3S)-3-methyl-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16728939