Vwyivaiktdvprtt

Structural Information

Molecular Formula

C₈₃H₁₃₂N₂₀O₂₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C83H132N20O22/c1-15-42(9)63(98-68(110)44(11)90-76(118)61(40(5)6)96-78(120)64(43(10)16-2)99-72(114)55(35-48-28-30-50(107)31-29-48)93-71(113)56(94-75(117)60(85)39(3)4)36-49-38-89-52-24-18-17-23-51(49)52)77(119)92-53(25-19-20-32-84)69(111)100-65(45(12)104)79(121)95-57(37-59(108)109)73(115)97-62(41(7)8)81(123)103-34-22-27-58(103)74(116)91-54(26-21-33-88-83(86)87)70(112)101-66(46(13)105)80(122)102-67(47(14)106)82(124)125/h17-18,23-24,28-31,38-47,53-58,60-67,89,104-107H,15-16,19-22,25-27,32-37,84-85H2,1-14H3,(H,90,118)(H,91,116)(H,92,119)(H,93,113)(H,94,117)(H,95,121)(H,96,120)(H,97,115)(H,98,110)(H,99,114)(H,100,111)(H,101,112)(H,102,122)(H,108,109)(H,124,125)(H4,86,87,88)/t42-,43-,44-,45+,46+,47+,53-,54-,55-,56-,57-,58-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1

InChIKey

IFODLYFCHVYRKN-NUFLQAPUSA-N

Compound name

(3S)-3-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S,3R)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 49777574