(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-4-carbamoyl-2-[[(2S)-1-[15-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S)-2-carbamoyl-1-[[(1S)-1-carboxy-2-phenyl-ethyl]carbamoyl]ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]pentadecanoyl]pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Molecular Formula:
C79H122N14O20
InChI: InChI=1/C79H122N14O20/c1-9-47(6)66(75(107)92-68(49(8)96)77(109)87-56(39-46(4)5)71(103)89-59(79(112)113)41-51-43-82-53-31-26-25-30-52(51)53)90-69(101)54(35-36-62(80)97)84-74(106)61-32-27-37-93(61)65(100)34-24-19-17-15-13-11-10-12-14-16-18-23-33-64(99)83-60(44-94)73(105)91-67(48(7)95)76(108)86-55(38-45(2)3)70(102)85-57(42-63(81)98)72(104)88-58(78(110)111)40-50-28-21-20-22-29-50/h20-22,25-26,28-31,43,45-49,54-61,66-68,82,94-96H,9-19,23-24,27,32-42,44H2,1-8H3,(H2,80,97)(H2,81,98)(H,83,99)(H,84,106)(H,85,102)(H,86,108)(H,87,109)(H,88,104)(H,89,103)(H,90,101)(H,91,105)(H,92,107)(H,110,111)(H,112,113)/t47-,48+,49+,54-,55-,56-,57-,58-,59-,60-,61-,66-,67-,68-/m0/s1/f/h83-92,110,112H,80-81H2
InChIKey: InChIKey=UQZSRXKGTRJJPI-RMEZHCKDDA
SMILES: CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)CCCCCCCCCCCCCCC(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CC4=CC=CC=C4)C(=O)O
Names:
(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-4-carbamoyl-2-[[(2S)-1-[15-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S)-2-carbamoyl-1-[[(1S)-1-carboxy-2-phenyl-ethyl]carbamoyl]ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]pentadecanoyl]pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Registries:
PubChem CID 471168
PubChem ID 10306762
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