methyl (2S)-2-amino-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-[3-[3-[[(2R)-1-[[(1R,2S,3R,5R,6R,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2-(methylideneamino)propanoate

C220H244ClN39O30S — CID 163680242

About methyl (2S)-2-amino-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-[3-[3-[[(2R)-1-[[(1R,2S,3R,5R,6R,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2-(methylideneamino)propanoate

methyl (2S)-2-amino-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-[3-[3-[[(2R)-1-[[(1R,2S,3R,5R,6R,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2-(methylideneamino)propanoate (PubChem CID 163680242) has the molecular formula C220H244ClN39O30S and a molecular weight of 3982.13 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-[3-[3-[[(2R)-1-[[(1R,2S,3R,5R,6R,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2-(methylideneamino)propanoate.

Molecular Properties

• Compound Name: methyl (2S)-2-amino-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-[3-[3-[[(2R)-1-[[(1R,2S,3R,5R,6R,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2-(methylideneamino)propanoate
• PubChem CID: 163680242
• Molecular Formula: C220H244ClN39O30S
• Molecular Weight: 3982.13 g/mol
• Exact Mass: 3978.82
• IUPAC Name: methyl (2S)-2-amino-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-[3-[3-[[(2R)-1-[[(1R,2S,3R,5R,6R,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2-(methylideneamino)propanoate
• SMILES: C=N[C@@H](Cc1cc(CN(Cc2ccccn2)Cc2ccccn2)c(O)c(CN(Cc2ccccn2)Cc2ccccn2)c1)C(=O)OC.COC(=O)[C@@H](N)Cc1cc(CN(Cc2ccccn2)Cc2ccccn2)c(O)c(CN(Cc2ccccn2)Cc2ccccn2)c1.COC(=O)[C@H](Cc1cc(CN(Cc2ccccn2)Cc2ccccn2)c(O)c(CN(Cc2ccccn2)Cc2ccccn2)c1)N(CC(=O)CCn1nnc2ccccc21)C(=O)CCCCCN1C(=O)C=CC1=O.COC(=O)[C@H](Cc1cc(CN(Cc2ccccn2)Cc2ccccn2)c(O)c(CN(Cc2ccccn2)Cc2ccccn2)c1)N(CC(=O)CCn1nnc2ccccc21)C(=O)CCCCCN1C(=O)CC(SCCC(=O)N(C)[C@H](C)C(=O)O[C@@H]2CC(=O)N(C)c3cc(cc(OC)c3Cl)C/C(C)=C/C=C/[C@H](OC)[C@]3(O)C[C@@H](OC(=O)N3)[C@H](C)[C@H]3O[C@@]32C)C1=O
• InChI: InChI=1S/C91H107ClN14O17S.C56H59N11O7.C37H39N7O3.C36H39N7O3/c1-58-24-23-31-77(119-8)91(117)50-75(121-89(116)97-91)59(2)85-90(4,123-85)78(49-81(110)101(6)72-45-61(42-58)47-74(118-7)83(72)92)122-87(114)60(3)100(5)79(108)34-41-124-76-48-82(111)104(86(76)113)39-22-10-11-32-80(109)105(57-69(107)33-40-106-71-30-13-12-29-70(71)98-99-106)73(88(115)120-9)46-62-43-63(51-102(53-65-25-14-18-35-93-65)54-66-26-15-19-36-94-66)84(112)64(44-62)52-103(55-67-27-16-20-37-95-67)56-68-28-17-21-38-96-68;1-74-56(73)51(66(52(69)21-3-2-14-29-65-53(70)22-23-54(65)71)40-48(68)24-30-67-50-20-5-4-19-49(50)61-62-67)33-41-31-42(34-63(36-44-15-6-10-25-57-44)37-45-16-7-11-26-58-45)55(72)43(32-41)35-64(38-46-17-8-12-27-59-46)39-47-18-9-13-28-60-47;1-38-35(37(46)47-2)21-28-19-29(22-43(24-31-11-3-7-15-39-31)25-32-12-4-8-16-40-32)36(45)30(20-28)23-44(26-33-13-5-9-17-41-33)27-34-14-6-10-18-42-34;1-46-36(45)34(37)20-27-18-28(21-42(23-30-10-2-6-14-38-30)24-31-11-3-7-15-39-31)35(44)29(19-27)22-43(25-32-12-4-8-16-40-32)26-33-13-5-9-17-41-33/h12-21,23-31,35-38,43-45,47,59-60,73,75-78,85,112,117H,10-11,22,32-34,39-42,46,48-57H2,1-9H3,(H,97,116);4-13,15-20,22-23,25-28,31-32,51,72H,2-3,14,21,24,29-30,33-40H2,1H3;3-20,35,45H,1,21-27H2,2H3;2-19,34,44H,20-26,37H2,1H3/b31-23+,58-24+;;;/t59-,60+,73-,75+,76?,77-,78+,85+,90+,91+;51-;35-;34-/m0000/s1
• InChIKey: JKFNBVPNSBHUCM-ZQILEHGTSA-N
• XLogP: 25.79
• TPSA: 824.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 63
• Rotatable Bonds: 94
• Heavy Atoms: 291
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3982.13
LogP ≤ 5	25.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	63

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-[3-[3-[[(2R)-1-[[(1R,2S,3R,5R,6R,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2-(methylideneamino)propanoate?

The IUPAC name of methyl (2S)-2-amino-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-[3-[3-[[(2R)-1-[[(1R,2S,3R,5R,6R,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2-(methylideneamino)propanoate (CID 163680242) is methyl (2S)-2-amino-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-[3-[3-[[(2R)-1-[[(1R,2S,3R,5R,6R,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2-(methylideneamino)propanoate.

What is the SMILES notation for methyl (2S)-2-amino-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-[3-[3-[[(2R)-1-[[(1R,2S,3R,5R,6R,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2-(methylideneamino)propanoate?

The canonical SMILES for methyl (2S)-2-amino-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-[3-[3-[[(2R)-1-[[(1R,2S,3R,5R,6R,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2-(methylideneamino)propanoate is C=N[C@@H](Cc1cc(CN(Cc2ccccn2)Cc2ccccn2)c(O)c(CN(Cc2ccccn2)Cc2ccccn2)c1)C(=O)OC.COC(=O)[C@@H](N)Cc1cc(CN(Cc2ccccn2)Cc2ccccn2)c(O)c(CN(Cc2ccccn2)Cc2ccccn2)c1.COC(=O)[C@H](Cc1cc(CN(Cc2ccccn2)Cc2ccccn2)c(O)c(CN(Cc2ccccn2)Cc2ccccn2)c1)N(CC(=O)CCn1nnc2ccccc21)C(=O)CCCCCN1C(=O)C=CC1=O.COC(=O)[C@H](Cc1cc(CN(Cc2ccccn2)Cc2ccccn2)c(O)c(CN(Cc2ccccn2)Cc2ccccn2)c1)N(CC(=O)CCn1nnc2ccccc21)C(=O)CCCCCN1C(=O)CC(SCCC(=O)N(C)[C@H](C)C(=O)O[C@@H]2CC(=O)N(C)c3cc(cc(OC)c3Cl)C/C(C)=C/C=C/[C@H](OC)[C@]3(O)C[C@@H](OC(=O)N3)[C@H](C)[C@H]3O[C@@]32C)C1=O.

What is the InChIKey of methyl (2S)-2-amino-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-[3-[3-[[(2R)-1-[[(1R,2S,3R,5R,6R,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2-(methylideneamino)propanoate?

The InChIKey is JKFNBVPNSBHUCM-ZQILEHGTSA-N. The full InChI is InChI=1S/C91H107ClN14O17S.C56H59N11O7.C37H39N7O3.C36H39N7O3/c1-58-24-23-31-77(119-8)91(117)50-75(121-89(116)97-91)59(2)85-90(4,123-85)78(49-81(110)101(6)72-45-61(42-58)47-74(118-7)83(72)92)122-87(114)60(3)100(5)79(108)34-41-124-76-48-82(111)104(86(76)113)39-22-10-11-32-80(109)105(57-69(107)33-40-106-71-30-13-12-29-70(71)98-99-106)73(88(115)120-9)46-62-43-63(51-102(53-65-25-14-18-35-93-65)54-66-26-15-19-36-94-66)84(112)64(44-62)52-103(55-67-27-16-20-37-95-67)56-68-28-17-21-38-96-68;1-74-56(73)51(66(52(69)21-3-2-14-29-65-53(70)22-23-54(65)71)40-48(68)24-30-67-50-20-5-4-19-49(50)61-62-67)33-41-31-42(34-63(36-44-15-6-10-25-57-44)37-45-16-7-11-26-58-45)55(72)43(32-41)35-64(38-46-17-8-12-27-59-46)39-47-18-9-13-28-60-47;1-38-35(37(46)47-2)21-28-19-29(22-43(24-31-11-3-7-15-39-31)25-32-12-4-8-16-40-32)36(45)30(20-28)23-44(26-33-13-5-9-17-41-33)27-34-14-6-10-18-42-34;1-46-36(45)34(37)20-27-18-28(21-42(23-30-10-2-6-14-38-30)24-31-11-3-7-15-39-31)35(44)29(19-27)22-43(25-32-12-4-8-16-40-32)26-33-13-5-9-17-41-33/h12-21,23-31,35-38,43-45,47,59-60,73,75-78,85,112,117H,10-11,22,32-34,39-42,46,48-57H2,1-9H3,(H,97,116);4-13,15-20,22-23,25-28,31-32,51,72H,2-3,14,21,24,29-30,33-40H2,1H3;3-20,35,45H,1,21-27H2,2H3;2-19,34,44H,20-26,37H2,1H3/b31-23+,58-24+;;;/t59-,60+,73-,75+,76?,77-,78+,85+,90+,91+;51-;35-;34-/m0000/s1.

What are the key properties of methyl (2S)-2-amino-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-[3-[3-[[(2R)-1-[[(1R,2S,3R,5R,6R,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2-(methylideneamino)propanoate?

methyl (2S)-2-amino-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-[3-[3-[[(2R)-1-[[(1R,2S,3R,5R,6R,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2-(methylideneamino)propanoate has a molecular weight of 3982.13 g/mol, XLogP of 25.79, 94 rotatable bonds, 7 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S)-2-amino-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-[3-[3-[[(2R)-1-[[(1R,2S,3R,5R,6R,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-2-[[4-(benzotriazol-1-yl)-2-oxobutyl]-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]propanoate;methyl (2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2-(methylideneamino)propanoate is sourced from PubChem (CID 163680242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).