(2S)-1-[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S,3R)-2-[[(2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[2-(tetradecanoylamino)ethanoylamino]pentanoyl]amino]butanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoyl]amino]ethanoylamino]hexanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S,3R)-2-[[(2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[2-(tetradecanoylamino)ethanoylamino]pentanoyl]amino]butanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoyl]amino]ethanoylamino]hexanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[2-(tetradecanoylamino)acetyl]amino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-[[[(2S)-1-[(2S,3S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[[(2S,3S)-3-methyl-1-oxo-2-[[1-oxo-2-(1-oxotetradecylamino)ethyl]amino]pentyl]amino]-1-oxobutyl]amino]-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[2-(tetradecanoylamino)acetyl]amino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[2-(tetradecanoylamino)acetyl]amino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]prolyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide Formula: C73H117N13O15 MolecularWeight: 1416.78818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NCC(=O)NC(C(C)CC)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N4CCCC4C(=O)N

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=O)N

InChI

InChI=1S/C73H117N13O15/c1-9-12-13-14-15-16-17-18-19-20-21-29-58(90)76-43-60(92)81-62(46(6)10-2)70(98)82-61(45(4)5)69(97)84-64(48(8)87)71(99)79-54(41-49-30-34-51(88)35-31-49)66(94)77-44-59(91)78-53(26-22-23-38-74)67(95)83-63(47(7)11-3)73(101)86-40-25-28-57(86)68(96)80-55(42-50-32-36-52(89)37-33-50)72(100)85-39-24-27-56(85)65(75)93/h30-37,45-48,53-57,61-64,87-89H,9-29,38-44,74H2,1-8H3,(H2,75,93)(H,76,90)(H,77,94)(H,78,91)(H,79,99)(H,80,96)(H,81,92)(H,82,98)(H,83,95)(H,84,97)/t46-,47-,48+,53-,54-,55-,56-,57-,61-,62-,63-,64-/m0/s1