(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-[3,5-bis(oxidanyl)phenyl]propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanamide

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-[3,5-bis(oxidanyl)phenyl]propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanamide Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-dihydroxyphenyl)propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanamide CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-dihydroxyphenyl)-1-oxopropyl]-methylamino]-1-oxo-3-phenylpropyl]-methylamino]-1-oxo-3-phenylpropyl]-methylamino]-1-oxo-3-phenylpropyl]-methylamino]-3-phenylpropanamide IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-dihydroxyphenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanamide Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-dihydroxyphenyl)propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propionamide Formula: C49H56N6O7 MolecularWeight: 841.00494

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=O)N(C)C(CC2=CC=CC=C2)C(=O)N(C)C(CC3=CC=CC=C3)C(=O)N(C)C(CC4=CC=CC=C4)C(=O)N)C(=O)C(CC5=CC(=CC(=C5)O)O)N

Isomeric SMILES

CN([C@@H](CC1=CC=CC=C1)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)N(C)[C@@H](CC3=CC=CC=C3)C(=O)N(C)[C@@H](CC4=CC=CC=C4)C(=O)N)C(=O)[C@H](CC5=CC(=CC(=C5)O)O)N

InChI

InChI=1S/C49H56N6O7/c1-52(41(45(51)58)28-33-17-9-5-10-18-33)47(60)43(30-35-21-13-7-14-22-35)54(3)49(62)44(31-36-23-15-8-16-24-36)55(4)48(61)42(29-34-19-11-6-12-20-34)53(2)46(59)40(50)27-37-25-38(56)32-39(57)26-37/h5-26,32,40-44,56-57H,27-31,50H2,1-4H3,(H2,51,58)/t40-,41-,42-,43-,44-/m0/s1