2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-[1-(4-methoxyphenyl)sulfonyl-4-imidazolyl]-1-oxopropyl]amino]-3-[1-(4-methoxyphenyl)sulfonyl-4-imidazolyl]-1-oxopropyl]amino]-3-[1-(4-methoxyphenyl)sulfonyl-4-imidazolyl]-1-oxopropyl]amino]-3-[1-(4-methoxyphenyl)sulfonyl-4-imidazolyl]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]-3-[1-(4-methoxyphenyl)sulfonylimidazol-4-yl]propanoyl]amino]acetic acid Formula: C54H57N13O18S4 MolecularWeight: 1304.36668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)CC(C(=O)NC(CC3=CN(C=N3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)NC(CC5=CN(C=N5)S(=O)(=O)C6=CC=C(C=C6)OC)C(=O)NC(CC7=CN(C=N7)S(=O)(=O)C8=CC=C(C=C8)OC)C(=O)NCC(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)C[C@@H](C(=O)N[C@@H](CC3=CN(C=N3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)N[C@@H](CC5=CN(C=N5)S(=O)(=O)C6=CC=C(C=C6)OC)C(=O)N[C@@H](CC7=CN(C=N7)S(=O)(=O)C8=CC=C(C=C8)OC)C(=O)NCC(=O)O)N

InChI

InChI=1S/C54H57N13O18S4/c1-82-38-5-13-42(14-6-38)86(74,75)64-26-34(57-30-64)21-46(55)51(70)61-48(23-36-28-66(32-59-36)88(78,79)44-17-9-40(84-3)10-18-44)53(72)63-49(24-37-29-67(33-60-37)89(80,81)45-19-11-41(85-4)12-20-45)54(73)62-47(52(71)56-25-50(68)69)22-35-27-65(31-58-35)87(76,77)43-15-7-39(83-2)8-16-43/h5-20,26-33,46-49H,21-25,55H2,1-4H3,(H,56,71)(H,61,70)(H,62,73)(H,63,72)(H,68,69)/t46-,47-,48-,49-/m0/s1