(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;methyl (2S)-2-[[(2S)-2-[[(2S,4S)-4-azido-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane

C217H301N31O39S16Si2 — CID 158098102

IUPAC(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;methyl (2S)-2-[[(2S)-2-[[(2S,4S)-4-azido-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane
SMILESCC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.COC(=O)[C@H](Cc1ccc(OCc2cn([C@H]3C[C@@H](C(=O)N[C@@H](Cc4ccc5ccccc5c4)C(=O)N[C@@H](Cc4ccc(O[Si](C)(C)C(C)(C)C)cc4)C(C)=O)N(C(=O)[C@@H](NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)C3)nn2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C.COC(=O)[C@H](Cc1ccc(OCc2cn([C@H]3C[C@@H](C(=O)N[C@@H](Cc4ccc5ccccc5c4)C(=O)N[C@@H](Cc4ccc(O[Si](C)(C)C(C)(C)C)cc4)C(C)=O)N(C(=O)[C@@H](NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)C3)nn2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)OCC1c2ccccc2-c2ccccc21.C[C@H](NC(=O)OC(C)(C)C)C(=O)O.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S
InChIInChI=1S/C97H121N15O16Si.C91H110N14O15Si.C21H23NO4.C8H15NO4.16H2S/c1-58(109(15)93(123)127-96(9,10)11)84(114)103-82(94(3,4)5)89(119)111-55-68(52-81(111)88(118)101-78(50-63-36-41-64-30-22-23-31-65(64)46-63)85(115)99-76(59(2)113)47-61-39-44-70(45-40-61)128-129(17,18)97(12,13)14)112-54-67(106-108-112)56-125-69-42-37-62(38-43-69)49-79(91(121)124-16)102-86(116)77(48-60-28-20-19-21-29-60)100-87(117)80-51-66(105-107-98)53-110(80)90(120)83(95(6,7)8)104-92(122)126-57-75-73-34-26-24-32-71(73)72-33-25-27-35-74(72)75;1-55(102(12)87(114)119-90(6,7)8)80(107)97-79(89(3,4)5)85(112)103-52-65(49-78(103)84(111)95-75(47-60-33-38-61-27-19-20-28-62(61)43-60)81(108)93-73(56(2)106)44-58-36-41-67(42-37-58)120-121(14,15)91(9,10)11)105-51-64(99-101-105)53-117-66-39-34-59(35-40-66)46-76(86(113)116-13)96-82(109)74(45-57-25-17-16-18-26-57)94-83(110)77-48-63(98-100-92)50-104(77)88(115)118-54-72-70-31-23-21-29-68(70)69-30-22-24-32-71(69)72;1-21(2,3)18(19(23)24)22-20(25)26-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-5(6(10)11)9-7(12)13-8(2,3)4;;;;;;;;;;;;;;;;/h19-46,54,58,66,68,75-83H,47-53,55-57H2,1-18H3,(H,99,115)(H,100,117)(H,101,118)(H,102,116)(H,103,114)(H,104,122);16-43,51,55,63,65,72-79H,44-50,52-54H2,1-15H3,(H,93,108)(H,94,110)(H,95,111)(H,96,109)(H,97,107);4-11,17-18H,12H2,1-3H3,(H,22,25)(H,23,24);5H,1-4H3,(H,9,12)(H,10,11);16*1H2/t58?,66-,68-,76-,77-,78-,79-,80-,81-,82+,83?;55?,63-,65-,73-,74-,75-,76-,77-,78-,79+;18-;5-;;;;;;;;;;;;;;;;/m0010................/s1
InChIKeyFOXKDCHDTQZUAH-XPWZCXIZSA-N
MW4537.22 g/mol
LogP31.34
Rot. Bonds70

About (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;methyl (2S)-2-[[(2S)-2-[[(2S,4S)-4-azido-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;methyl (2S)-2-[[(2S)-2-[[(2S,4S)-4-azido-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane (PubChem CID 158098102) has the molecular formula C217H301N31O39S16Si2 and a molecular weight of 4537.22 g/mol. Its IUPAC name is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;methyl (2S)-2-[[(2S)-2-[[(2S,4S)-4-azido-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane.

Molecular Properties

Compound Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;methyl (2S)-2-[[(2S)-2-[[(2S,4S)-4-azido-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane
PubChem CID158098102
Molecular FormulaC217H301N31O39S16Si2
Molecular Weight4537.22 g/mol
Exact Mass4532.76
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;methyl (2S)-2-[[(2S)-2-[[(2S,4S)-4-azido-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane
SMILESCC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.COC(=O)[C@H](Cc1ccc(OCc2cn([C@H]3C[C@@H](C(=O)N[C@@H](Cc4ccc5ccccc5c4)C(=O)N[C@@H](Cc4ccc(O[Si](C)(C)C(C)(C)C)cc4)C(C)=O)N(C(=O)[C@@H](NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)C3)nn2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C.COC(=O)[C@H](Cc1ccc(OCc2cn([C@H]3C[C@@H](C(=O)N[C@@H](Cc4ccc5ccccc5c4)C(=O)N[C@@H](Cc4ccc(O[Si](C)(C)C(C)(C)C)cc4)C(C)=O)N(C(=O)[C@@H](NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)C3)nn2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)OCC1c2ccccc2-c2ccccc21.C[C@H](NC(=O)OC(C)(C)C)C(=O)O.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S
InChIInChI=1S/C97H121N15O16Si.C91H110N14O15Si.C21H23NO4.C8H15NO4.16H2S/c1-58(109(15)93(123)127-96(9,10)11)84(114)103-82(94(3,4)5)89(119)111-55-68(52-81(111)88(118)101-78(50-63-36-41-64-30-22-23-31-65(64)46-63)85(115)99-76(59(2)113)47-61-39-44-70(45-40-61)128-129(17,18)97(12,13)14)112-54-67(106-108-112)56-125-69-42-37-62(38-43-69)49-79(91(121)124-16)102-86(116)77(48-60-28-20-19-21-29-60)100-87(117)80-51-66(105-107-98)53-110(80)90(120)83(95(6,7)8)104-92(122)126-57-75-73-34-26-24-32-71(73)72-33-25-27-35-74(72)75;1-55(102(12)87(114)119-90(6,7)8)80(107)97-79(89(3,4)5)85(112)103-52-65(49-78(103)84(111)95-75(47-60-33-38-61-27-19-20-28-62(61)43-60)81(108)93-73(56(2)106)44-58-36-41-67(42-37-58)120-121(14,15)91(9,10)11)105-51-64(99-101-105)53-117-66-39-34-59(35-40-66)46-76(86(113)116-13)96-82(109)74(45-57-25-17-16-18-26-57)94-83(110)77-48-63(98-100-92)50-104(77)88(115)118-54-72-70-31-23-21-29-68(70)69-30-22-24-32-71(69)72;1-21(2,3)18(19(23)24)22-20(25)26-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-5(6(10)11)9-7(12)13-8(2,3)4;;;;;;;;;;;;;;;;/h19-46,54,58,66,68,75-83H,47-53,55-57H2,1-18H3,(H,99,115)(H,100,117)(H,101,118)(H,102,116)(H,103,114)(H,104,122);16-43,51,55,63,65,72-79H,44-50,52-54H2,1-15H3,(H,93,108)(H,94,110)(H,95,111)(H,96,109)(H,97,107);4-11,17-18H,12H2,1-3H3,(H,22,25)(H,23,24);5H,1-4H3,(H,9,12)(H,10,11);16*1H2/t58?,66-,68-,76-,77-,78-,79-,80-,81-,82+,83?;55?,63-,65-,73-,74-,75-,76-,77-,78-,79+;18-;5-;;;;;;;;;;;;;;;;/m0010................/s1
InChIKeyFOXKDCHDTQZUAH-XPWZCXIZSA-N
XLogP31.34
TPSA912.74 Ų
H-Bond Donors15
H-Bond Acceptors45
Rotatable Bonds70
Heavy Atoms305
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004537.22
LogP ≤ 531.34
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1045

Analyze (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;methyl (2S)-2-[[(2S)-2-[[(2S,4S)-4-azido-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[(2S,4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-4-[4-[[4-[(2S)-2-[[(2S)-2-[[(2S,4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-4-prop-2-enylpyrrolidine-2-carbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenoxy]methyl]triazol-1-yl]pyrrolidine-2-carbonyl]amino]-3-naphthalen-2-ylpropanoic acid
CID 90141142
(2S)-2-[[(2S,4S)-4-[4-[[4-[(2R)-4-(9H-fluoren-9-ylmethoxy)-2-methoxycarbonyl-4-oxobutyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3-methyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 161087769
(2S,4S)-4-azido-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;tert-butyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl N-[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
CID 160635708
[(3S,5S)-5-[(1-carboxy-2-naphthalen-2-ylethyl)carbamoyl]-1-[3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]imino-iminoazanium
CID 90122477
dimethyl (8S,11S,14S,17S,28S,31S,34S,37R)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,22-dioxa-5,6,7,10,13,16,25,26,27,30,33-undecazaheptacyclo[37.2.2.218,21.14,7.18,11.124,27.128,31]nonatetraconta-1(42),4(49),5,18,20,24(45),25,39(43),40,46-decaene-17,37-dicarboxylate;methyl (2R)-4-[(2S,4S)-4-[4-[[4-[(2S)-2-[[4-[(2S,4S)-4-[4-[[4-[(1S)-1-amino-2-methoxy-2-oxoethyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]amino]-3-methoxy-3-oxopropyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoate
CID 157176190
[1-[3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]-2-[(1-methoxy-3-naphthalen-2-yl-1-oxopropan-2-yl)carbamoyl]pyrrolidin-3-yl]imino-methyliminoazanium
CID 123537695
[(2S,3R)-2-[(1-carboxy-2-naphthalen-2-ylethyl)carbamoyl]-1-[3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]imino-iminoazanium
CID 118414871
methyl 4-[[(2S,4S)-4-azido-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carbonyl]-benzylamino]benzoate
CID 12017854
tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl N-(hydroxymethyl)carbamate
CID 90757161
methyl (8S,11S,14S,17R,25E,28S,31S,34S,37S)-17-(3-azidopropylsulfonylcarbamoyl)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,23-dioxa-5,6,7,10,13,30,33,36-octazahexacyclo[37.2.2.219,22.14,7.18,11.128,31]octatetraconta-1(42),4(48),5,19,21,25,39(43),40,45-nonaene-37-carboxylate
CID 161426237
tert-butyl 4-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]propanoylamino]-3-methoxy-3-oxopropyl]benzoate
CID 71141150
tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[5-[[[(3S)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-[(1R)-2-methoxy-1-phenylethyl]amino]methyl]indole-1-carbonyl]amino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 126692497

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;methyl (2S)-2-[[(2S)-2-[[(2S,4S)-4-azido-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane?
The IUPAC name of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;methyl (2S)-2-[[(2S)-2-[[(2S,4S)-4-azido-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane (CID 158098102) is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;methyl (2S)-2-[[(2S)-2-[[(2S,4S)-4-azido-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane.
What is the SMILES notation for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;methyl (2S)-2-[[(2S)-2-[[(2S,4S)-4-azido-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane?
The canonical SMILES for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;methyl (2S)-2-[[(2S)-2-[[(2S,4S)-4-azido-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane is CC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.COC(=O)[C@H](Cc1ccc(OCc2cn([C@H]3C[C@@H](C(=O)N[C@@H](Cc4ccc5ccccc5c4)C(=O)N[C@@H](Cc4ccc(O[Si](C)(C)C(C)(C)C)cc4)C(C)=O)N(C(=O)[C@@H](NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)C3)nn2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C.COC(=O)[C@H](Cc1ccc(OCc2cn([C@H]3C[C@@H](C(=O)N[C@@H](Cc4ccc5ccccc5c4)C(=O)N[C@@H](Cc4ccc(O[Si](C)(C)C(C)(C)C)cc4)C(C)=O)N(C(=O)[C@@H](NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)C3)nn2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)OCC1c2ccccc2-c2ccccc21.C[C@H](NC(=O)OC(C)(C)C)C(=O)O.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.
What is the InChIKey of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;methyl (2S)-2-[[(2S)-2-[[(2S,4S)-4-azido-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane?
The InChIKey is FOXKDCHDTQZUAH-XPWZCXIZSA-N. The full InChI is InChI=1S/C97H121N15O16Si.C91H110N14O15Si.C21H23NO4.C8H15NO4.16H2S/c1-58(109(15)93(123)127-96(9,10)11)84(114)103-82(94(3,4)5)89(119)111-55-68(52-81(111)88(118)101-78(50-63-36-41-64-30-22-23-31-65(64)46-63)85(115)99-76(59(2)113)47-61-39-44-70(45-40-61)128-129(17,18)97(12,13)14)112-54-67(106-108-112)56-125-69-42-37-62(38-43-69)49-79(91(121)124-16)102-86(116)77(48-60-28-20-19-21-29-60)100-87(117)80-51-66(105-107-98)53-110(80)90(120)83(95(6,7)8)104-92(122)126-57-75-73-34-26-24-32-71(73)72-33-25-27-35-74(72)75;1-55(102(12)87(114)119-90(6,7)8)80(107)97-79(89(3,4)5)85(112)103-52-65(49-78(103)84(111)95-75(47-60-33-38-61-27-19-20-28-62(61)43-60)81(108)93-73(56(2)106)44-58-36-41-67(42-37-58)120-121(14,15)91(9,10)11)105-51-64(99-101-105)53-117-66-39-34-59(35-40-66)46-76(86(113)116-13)96-82(109)74(45-57-25-17-16-18-26-57)94-83(110)77-48-63(98-100-92)50-104(77)88(115)118-54-72-70-31-23-21-29-68(70)69-30-22-24-32-71(69)72;1-21(2,3)18(19(23)24)22-20(25)26-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-5(6(10)11)9-7(12)13-8(2,3)4;;;;;;;;;;;;;;;;/h19-46,54,58,66,68,75-83H,47-53,55-57H2,1-18H3,(H,99,115)(H,100,117)(H,101,118)(H,102,116)(H,103,114)(H,104,122);16-43,51,55,63,65,72-79H,44-50,52-54H2,1-15H3,(H,93,108)(H,94,110)(H,95,111)(H,96,109)(H,97,107);4-11,17-18H,12H2,1-3H3,(H,22,25)(H,23,24);5H,1-4H3,(H,9,12)(H,10,11);16*1H2/t58?,66-,68-,76-,77-,78-,79-,80-,81-,82+,83?;55?,63-,65-,73-,74-,75-,76-,77-,78-,79+;18-;5-;;;;;;;;;;;;;;;;/m0010................/s1.
What are the key properties of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;methyl (2S)-2-[[(2S)-2-[[(2S,4S)-4-azido-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane?
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;methyl (2S)-2-[[(2S)-2-[[(2S,4S)-4-azido-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane has a molecular weight of 4537.22 g/mol, XLogP of 31.34, 70 rotatable bonds, 15 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-azido-2-[[(2S)-1-[[(2S)-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;methyl (2S)-2-[[(2S)-2-[[(2S,4S)-4-azido-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-[4-[[1-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-1-[(2S)-3,3-dimethyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butanoyl]pyrrolidin-3-yl]triazol-4-yl]methoxy]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane is sourced from PubChem (CID 158098102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).