2-[[(2S)-2-[2-[2-[[(2S)-3-(4-hydroxyphenyl)-2-[2-[[(8R,9S,13S,14S)-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]ethanoylamino]propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-[2-[2-[[(2S)-3-(4-hydroxyphenyl)-2-[2-[[(8R,9S,13S,14S)-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]ethanoylamino]propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-1-oxoethyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-[[(8R,9S,13S,14S)-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetic acid Formula: C44H51N5O10 MolecularWeight: 809.90324

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OCC(=O)NC(CC5=CC=C(C=C5)O)C(=O)NCC(=O)NCC(=O)NC(CC6=CC=CC=C6)C(=O)NCC(=O)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OCC(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CC6=CC=CC=C6)C(=O)NCC(=O)O

InChI

InChI=1S/C44H51N5O10/c1-44-18-17-32-31-14-12-30(21-28(31)9-13-33(32)34(44)15-16-37(44)51)59-25-40(54)49-36(20-27-7-10-29(50)11-8-27)42(57)46-22-38(52)45-23-39(53)48-35(43(58)47-24-41(55)56)19-26-5-3-2-4-6-26/h2-8,10-12,14,21,32-36,50H,9,13,15-20,22-25H2,1H3,(H,45,52)(H,46,57)(H,47,58)(H,48,53)(H,49,54)(H,55,56)/t32-,33-,34+,35+,36+,44+/m1/s1