(2S,5S)-5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-5-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrate

C167H272N20O45S3 — CID 157293025

IUPAC(2S,5S)-5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-5-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrate
SMILESC.CN[C@H](C(=O)C[C@H](C(=O)N(C)[C@@H](C(C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)C1CC1)OC)C(C)C)C(C)C.CO[C@H]([C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)C1CC1)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON)C(C)C.CO[C@H]([C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)C1CC1)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON1C(=O)c2ccccc2C1=O)C(C)C.NN.O.O=CCOCCOCCOCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C58H88N6O15S.C50H86N6O13S.C42H69N5O9S.C16H19NO7.CH4.H4N2.H2O/c1-37(2)45(35-48(65)51(38(3)4)61(8)26-27-76-28-29-77-30-31-78-32-33-79-64-57(70)43-20-15-16-21-44(43)58(64)71)56(69)62(9)52(39(5)6)49(74-10)36-50(66)63-25-17-22-47(63)53(75-11)40(7)54(67)59-46(34-41-18-13-12-14-19-41)55(68)60-80(72,73)42-23-24-42;1-33(2)39(31-42(57)45(34(3)4)54(8)22-23-66-24-25-67-26-27-68-28-29-69-51)50(61)55(9)46(35(5)6)43(64-10)32-44(58)56-21-15-18-41(56)47(65-11)36(7)48(59)52-40(30-37-16-13-12-14-17-37)49(60)53-70(62,63)38-19-20-38;1-25(2)31(23-34(48)37(43-8)26(3)4)42(52)46(9)38(27(5)6)35(55-10)24-36(49)47-21-15-18-33(47)39(56-11)28(7)40(50)44-32(22-29-16-13-12-14-17-29)41(51)45-57(53,54)30-19-20-30;18-5-6-21-7-8-22-9-10-23-11-12-24-17-15(19)13-3-1-2-4-14(13)16(17)20;;1-2;/h12-16,18-21,37-40,42,45-47,49,51-53H,17,22-36H2,1-11H3,(H,59,67)(H,60,68);12-14,16-17,33-36,38-41,43,45-47H,15,18-32,51H2,1-11H3,(H,52,59)(H,53,60);12-14,16-17,25-28,30-33,35,37-39,43H,15,18-24H2,1-11H3,(H,44,50)(H,45,51);1-5H,6-12H2;1H4;1-2H2;1H2/t40-,45+,46+,47+,49-,51+,52+,53-;36-,39+,40+,41+,43-,45+,46+,47-;28-,31+,32+,33+,35-,37+,38+,39-;;;;/m111..../s1
InChIKeyLDSCRGWSZKNQJQ-HOVMGZOQSA-N
MW3376.31 g/mol
LogP9.72
Rot. Bonds106

About (2S,5S)-5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-5-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrate

(2S,5S)-5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-5-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrate (PubChem CID 157293025) has the molecular formula C167H272N20O45S3 and a molecular weight of 3376.31 g/mol. Its IUPAC name is (2S,5S)-5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-5-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrate.

Molecular Properties

Compound Name(2S,5S)-5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-5-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrate
PubChem CID157293025
Molecular FormulaC167H272N20O45S3
Molecular Weight3376.31 g/mol
Exact Mass3373.88
IUPAC Name(2S,5S)-5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-5-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrate
SMILESC.CN[C@H](C(=O)C[C@H](C(=O)N(C)[C@@H](C(C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)C1CC1)OC)C(C)C)C(C)C.CO[C@H]([C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)C1CC1)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON)C(C)C.CO[C@H]([C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)C1CC1)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON1C(=O)c2ccccc2C1=O)C(C)C.NN.O.O=CCOCCOCCOCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C58H88N6O15S.C50H86N6O13S.C42H69N5O9S.C16H19NO7.CH4.H4N2.H2O/c1-37(2)45(35-48(65)51(38(3)4)61(8)26-27-76-28-29-77-30-31-78-32-33-79-64-57(70)43-20-15-16-21-44(43)58(64)71)56(69)62(9)52(39(5)6)49(74-10)36-50(66)63-25-17-22-47(63)53(75-11)40(7)54(67)59-46(34-41-18-13-12-14-19-41)55(68)60-80(72,73)42-23-24-42;1-33(2)39(31-42(57)45(34(3)4)54(8)22-23-66-24-25-67-26-27-68-28-29-69-51)50(61)55(9)46(35(5)6)43(64-10)32-44(58)56-21-15-18-41(56)47(65-11)36(7)48(59)52-40(30-37-16-13-12-14-17-37)49(60)53-70(62,63)38-19-20-38;1-25(2)31(23-34(48)37(43-8)26(3)4)42(52)46(9)38(27(5)6)35(55-10)24-36(49)47-21-15-18-33(47)39(56-11)28(7)40(50)44-32(22-29-16-13-12-14-17-29)41(51)45-57(53,54)30-19-20-30;18-5-6-21-7-8-22-9-10-23-11-12-24-17-15(19)13-3-1-2-4-14(13)16(17)20;;1-2;/h12-16,18-21,37-40,42,45-47,49,51-53H,17,22-36H2,1-11H3,(H,59,67)(H,60,68);12-14,16-17,33-36,38-41,43,45-47H,15,18-32,51H2,1-11H3,(H,52,59)(H,53,60);12-14,16-17,25-28,30-33,35,37-39,43H,15,18-24H2,1-11H3,(H,44,50)(H,45,51);1-5H,6-12H2;1H4;1-2H2;1H2/t40-,45+,46+,47+,49-,51+,52+,53-;36-,39+,40+,41+,43-,45+,46+,47-;28-,31+,32+,33+,35-,37+,38+,39-;;;;/m111..../s1
InChIKeyLDSCRGWSZKNQJQ-HOVMGZOQSA-N
XLogP9.72
TPSA836.13 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds106
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003376.31
LogP ≤ 59.72
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

Analyze (2S,5S)-5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-5-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrate with MolForge

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Launch Full Analysis

Related Compounds

(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoic acid;(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;(2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S,5S)-6-methyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoic acid;2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrochloride
CID 160527599
tert-butyl 3-[2-[2-[[1-[[1-[[1-[2-[3-[[1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]ethoxy]ethoxy]propanoate
CID 123292444
N-[1-[[1-[2-[3-[[1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-1-oxopropan-2-yl]-3-methyl-2-(methylamino)butanamide
CID 123473795
1-[3-[2-[2-[[1-[[1-[[1-[2-[3-[[1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]ethoxy]ethoxy]propanoyl]piperidine-4-carboxylic acid
CID 123838659
3-[2-[(5R)-6-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-5-methyl-3,6-dioxohexoxy]ethoxy]propanoic acid
CID 153093989
(2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride
CID 163860685
lithium;(2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S,5S)-6-methyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoic acid;(2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S,5S)-6-methyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-2-propan-2-ylheptanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoic acid;tert-butyl acetate;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;methane;(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoic acid;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;(2S)-2-(methylamino)-3-phenylpropanal;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S,5S)-6-methyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-2-propan-2-ylheptanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;hydroxide;pentahydrochloride
CID 162169714
(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R,5R)-6-(cyclopropylsulfonylamino)-5-[(4-hydroxyphenyl)methyl]-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide
CID 158022031
(2S)-2-[[(2S)-2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CID 129153302
(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-[[(2S)-2-[2-[2-[2-[2-[[hydroxy-(2-propoxy-3,4-dihydro-2H-pyran-4-yl)methyl]amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N,3-dimethylbutanamide
CID 139375220
2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethyl N-[(2S)-1-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethylamino]-6-[2-[2-[2-[2-[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 158469560
methyl (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,5S)-4-[[(2S)-2-[[2-[2-(2-aminoethoxy)ethyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate
CID 126596076

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-5-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrate?
The IUPAC name of (2S,5S)-5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-5-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrate (CID 157293025) is (2S,5S)-5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-5-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrate.
What is the SMILES notation for (2S,5S)-5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-5-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrate?
The canonical SMILES for (2S,5S)-5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-5-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrate is C.CN[C@H](C(=O)C[C@H](C(=O)N(C)[C@@H](C(C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)C1CC1)OC)C(C)C)C(C)C.CO[C@H]([C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)C1CC1)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON)C(C)C.CO[C@H]([C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)C1CC1)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON1C(=O)c2ccccc2C1=O)C(C)C.NN.O.O=CCOCCOCCOCCON1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S,5S)-5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-5-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrate?
The InChIKey is LDSCRGWSZKNQJQ-HOVMGZOQSA-N. The full InChI is InChI=1S/C58H88N6O15S.C50H86N6O13S.C42H69N5O9S.C16H19NO7.CH4.H4N2.H2O/c1-37(2)45(35-48(65)51(38(3)4)61(8)26-27-76-28-29-77-30-31-78-32-33-79-64-57(70)43-20-15-16-21-44(43)58(64)71)56(69)62(9)52(39(5)6)49(74-10)36-50(66)63-25-17-22-47(63)53(75-11)40(7)54(67)59-46(34-41-18-13-12-14-19-41)55(68)60-80(72,73)42-23-24-42;1-33(2)39(31-42(57)45(34(3)4)54(8)22-23-66-24-25-67-26-27-68-28-29-69-51)50(61)55(9)46(35(5)6)43(64-10)32-44(58)56-21-15-18-41(56)47(65-11)36(7)48(59)52-40(30-37-16-13-12-14-17-37)49(60)53-70(62,63)38-19-20-38;1-25(2)31(23-34(48)37(43-8)26(3)4)42(52)46(9)38(27(5)6)35(55-10)24-36(49)47-21-15-18-33(47)39(56-11)28(7)40(50)44-32(22-29-16-13-12-14-17-29)41(51)45-57(53,54)30-19-20-30;18-5-6-21-7-8-22-9-10-23-11-12-24-17-15(19)13-3-1-2-4-14(13)16(17)20;;1-2;/h12-16,18-21,37-40,42,45-47,49,51-53H,17,22-36H2,1-11H3,(H,59,67)(H,60,68);12-14,16-17,33-36,38-41,43,45-47H,15,18-32,51H2,1-11H3,(H,52,59)(H,53,60);12-14,16-17,25-28,30-33,35,37-39,43H,15,18-24H2,1-11H3,(H,44,50)(H,45,51);1-5H,6-12H2;1H4;1-2H2;1H2/t40-,45+,46+,47+,49-,51+,52+,53-;36-,39+,40+,41+,43-,45+,46+,47-;28-,31+,32+,33+,35-,37+,38+,39-;;;;/m111..../s1.
What are the key properties of (2S,5S)-5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-5-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrate?
(2S,5S)-5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-5-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrate has a molecular weight of 3376.31 g/mol, XLogP of 9.72, 106 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-N,6-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3S,4R)-6-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(cyclopropylsulfonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-4-methoxy-2-methyl-6-oxohexan-3-yl]-5-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrate is sourced from PubChem (CID 157293025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).