(4S)-4-[2-[[(2S)-2-[2-[2-[2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]-5-[(2S)-2-methanoylpyrrolidin-1-yl]-5-oxidanylidene-pentanamide

Systemtic Name: (4S)-4-[2-[[(2S)-2-[2-[2-[2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]-5-[(2S)-2-methanoylpyrrolidin-1-yl]-5-oxidanylidene-pentanamide Openeye Name: (4S)-4-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-5-[(2S)-2-formylpyrrolidin-1-yl]-5-oxo-pentanamide CAS Name: (4S)-4-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-5-[(2S)-2-formyl-1-pyrrolidinyl]-5-oxopentanamide IUPAC Name: (4S)-4-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-5-[(2S)-2-formylpyrrolidin-1-yl]-5-oxopentanamide Traditional Name: (4S)-4-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-5-[(2S)-2-formylpyrrolidino]-5-keto-valeramide Formula: C35H46N12O9 MolecularWeight: 778.81474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CC4=CN=CN4)N)C=O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC4=CN=CN4)N)C=O

InChI

InChI=1S/C35H46N12O9/c36-24(11-21-13-38-19-44-21)33(54)42-15-30(51)40-14-29(50)41-16-31(52)46-27(10-20-12-39-25-6-2-1-5-23(20)25)34(55)43-17-32(53)45-26(7-8-28(37)49)35(56)47-9-3-4-22(47)18-48/h1-2,5-6,12-13,18-19,22,24,26-27,39H,3-4,7-11,14-17,36H2,(H2,37,49)(H,38,44)(H,40,51)(H,41,50)(H,42,54)(H,43,55)(H,45,53)(H,46,52)/t22-,24-,26-,27-/m0/s1