(2R,5R)-N-[(2R)-6-[[(4R,7S)-8-[[(3R,6S)-7-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxoheptan-3-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]amino]-3,6-dioxohexan-2-yl]-5-[[(2S,5R)-2-[(4-hydroxyphenyl)methyl]-5-[3-(4-hydroxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]-4-oxo-2-propan-2-ylheptanediamide

C74H100N12O16 — CID 159169682

IUPAC(2R,5R)-N-[(2R)-6-[[(4R,7S)-8-[[(3R,6S)-7-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxoheptan-3-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]amino]-3,6-dioxohexan-2-yl]-5-[[(2S,5R)-2-[(4-hydroxyphenyl)methyl]-5-[3-(4-hydroxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]-4-oxo-2-propan-2-ylheptanediamide
SMILESCC(C)C[C@@H](NC(=O)CCC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC(=O)[C@H](NC(=O)CCc1ccc(O)cc1)C(C)C)Cc1ccc(O)cc1)C(C)C)C(=O)C[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(=O)C[C@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O)C(C)C
InChIInChI=1S/C74H100N12O16/c1-40(2)26-57(61(91)30-48(27-46-12-19-54(88)20-13-46)73(101)86-69(43(7)8)64(94)32-50(29-51-36-77-38-79-51)72(100)84-59(70(76)98)33-52-37-78-39-80-52)82-66(96)25-23-60(90)44(9)81-74(102)56(41(3)4)34-62(92)58(35-65(75)95)83-71(99)49(28-47-14-21-55(89)22-15-47)31-63(93)68(42(5)6)85-67(97)24-16-45-10-17-53(87)18-11-45/h10-15,17-22,36-44,48-50,56-59,68-69,87-89H,16,23-35H2,1-9H3,(H2,75,95)(H2,76,98)(H,77,79)(H,78,80)(H,81,102)(H,82,96)(H,83,99)(H,84,100)(H,85,97)(H,86,101)/t44-,48+,49+,50+,56-,57-,58-,59-,68-,69-/m1/s1
InChIKeyKLNFLMQAXFCIIY-YPHGLGHHSA-N
MW1413.68 g/mol
LogP4.11
Rot. Bonds45

About (2R,5R)-N-[(2R)-6-[[(4R,7S)-8-[[(3R,6S)-7-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxoheptan-3-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]amino]-3,6-dioxohexan-2-yl]-5-[[(2S,5R)-2-[(4-hydroxyphenyl)methyl]-5-[3-(4-hydroxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]-4-oxo-2-propan-2-ylheptanediamide

(2R,5R)-N-[(2R)-6-[[(4R,7S)-8-[[(3R,6S)-7-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxoheptan-3-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]amino]-3,6-dioxohexan-2-yl]-5-[[(2S,5R)-2-[(4-hydroxyphenyl)methyl]-5-[3-(4-hydroxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]-4-oxo-2-propan-2-ylheptanediamide (PubChem CID 159169682) has the molecular formula C74H100N12O16 and a molecular weight of 1413.68 g/mol. Its IUPAC name is (2R,5R)-N-[(2R)-6-[[(4R,7S)-8-[[(3R,6S)-7-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxoheptan-3-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]amino]-3,6-dioxohexan-2-yl]-5-[[(2S,5R)-2-[(4-hydroxyphenyl)methyl]-5-[3-(4-hydroxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]-4-oxo-2-propan-2-ylheptanediamide.

Molecular Properties

Compound Name(2R,5R)-N-[(2R)-6-[[(4R,7S)-8-[[(3R,6S)-7-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxoheptan-3-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]amino]-3,6-dioxohexan-2-yl]-5-[[(2S,5R)-2-[(4-hydroxyphenyl)methyl]-5-[3-(4-hydroxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]-4-oxo-2-propan-2-ylheptanediamide
PubChem CID159169682
Molecular FormulaC74H100N12O16
Molecular Weight1413.68 g/mol
Exact Mass1412.74
IUPAC Name(2R,5R)-N-[(2R)-6-[[(4R,7S)-8-[[(3R,6S)-7-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxoheptan-3-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]amino]-3,6-dioxohexan-2-yl]-5-[[(2S,5R)-2-[(4-hydroxyphenyl)methyl]-5-[3-(4-hydroxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]-4-oxo-2-propan-2-ylheptanediamide
SMILESCC(C)C[C@@H](NC(=O)CCC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC(=O)[C@H](NC(=O)CCc1ccc(O)cc1)C(C)C)Cc1ccc(O)cc1)C(C)C)C(=O)C[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(=O)C[C@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O)C(C)C
InChIInChI=1S/C74H100N12O16/c1-40(2)26-57(61(91)30-48(27-46-12-19-54(88)20-13-46)73(101)86-69(43(7)8)64(94)32-50(29-51-36-77-38-79-51)72(100)84-59(70(76)98)33-52-37-78-39-80-52)82-66(96)25-23-60(90)44(9)81-74(102)56(41(3)4)34-62(92)58(35-65(75)95)83-71(99)49(28-47-14-21-55(89)22-15-47)31-63(93)68(42(5)6)85-67(97)24-16-45-10-17-53(87)18-11-45/h10-15,17-22,36-44,48-50,56-59,68-69,87-89H,16,23-35H2,1-9H3,(H2,75,95)(H2,76,98)(H,77,79)(H,78,80)(H,81,102)(H,82,96)(H,83,99)(H,84,100)(H,85,97)(H,86,101)/t44-,48+,49+,50+,56-,57-,58-,59-,68-,69-/m1/s1
InChIKeyKLNFLMQAXFCIIY-YPHGLGHHSA-N
XLogP4.11
TPSA464.18 Ų
H-Bond Donors13
H-Bond Acceptors18
Rotatable Bonds45
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001413.68
LogP ≤ 54.11
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1018

Analyze (2R,5R)-N-[(2R)-6-[[(4R,7S)-8-[[(3R,6S)-7-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxoheptan-3-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]amino]-3,6-dioxohexan-2-yl]-5-[[(2S,5R)-2-[(4-hydroxyphenyl)methyl]-5-[3-(4-hydroxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]-4-oxo-2-propan-2-ylheptanediamide with MolForge

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Launch Full Analysis

Related Compounds

(2R,5S)-N-[(3S,6S,7S)-6-carbamoyl-2,7-dimethyl-4-oxononan-3-yl]-5-[[(2R,5S)-8-(diaminomethylideneamino)-5-[[(2R,5S)-8-(diaminomethylideneamino)-5-[[(2S)-2-[(4-hydroxyphenyl)methyl]butanoyl]amino]-2-(1H-imidazol-5-ylmethyl)-4-oxooctanoyl]amino]-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-7-methyl-2-(2-methylpropyl)-4-oxooctanamide
CID 58537353
4-[[(4S,7R)-7-[[(6R)-6-[(4-hydroxyphenyl)methyl]-2-methyl-4,7-dioxooctan-3-yl]carbamoyl]-2,9-dimethyl-5-oxodecan-4-yl]amino]-4-oxobutanoic acid
CID 158081603
(2R,5S)-N-[(2S,5R)-5-[[(2S,5S,6S)-5-carbamoyl-1-hydroxy-6-methyl-3-oxooctan-2-yl]carbamoyl]-7-methyl-3-oxooctan-2-yl]-8-(diaminomethylideneamino)-5-[[(2R,5S)-8-(diaminomethylideneamino)-5-[[(2S)-2-[(4-hydroxyphenyl)methyl]butanoyl]amino]-2-(1H-imidazol-5-ylmethyl)-4-oxooctanoyl]amino]-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanamide;(2R,5S)-N-[(2S,5S,6S)-5-carbamoyl-1-hydroxy-6-methyl-3-oxooctan-2-yl]-5-[[(2R,5S)-8-(diaminomethylideneamino)-5-[[(2R,5S)-8-(diaminomethylideneamino)-5-[[(2S)-2-[(4-hydroxyphenyl)methyl]butanoyl]amino]-2-(1H-imidazol-5-ylmethyl)-4-oxooctanoyl]amino]-2-methyl-4-oxooctanoyl]amino]-7-methyl-2-(2-methylpropyl)-4-oxooctanamide;bis(N-[(2S,5R)-1-(1H-imidazol-5-yl)-6-[[(3S,6R)-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxo-7-[[(2S)-3-oxobutan-2-yl]amino]heptan-3-yl]amino]-5-methyl-3,6-dioxohexan-2-yl]hexadecanamide)
CID 157127625
(2R,5S)-8-(diaminomethylideneamino)-5-[[(2R,5S)-8-(diaminomethylideneamino)-5-[[(2R,5S)-2-[(4-hydroxyphenyl)methyl]-5-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-6-methyl-5-(methylamino)-4-oxoheptanoyl]amino]-4-oxohexanoyl]amino]-2-(1H-imidazol-5-ylmethyl)-4-oxooctanoyl]amino]-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanamide;N-[(3S,4S,7S)-7-[[(2S,5R)-1-(1H-imidazol-5-yl)-5-methyl-3,6-dioxoheptan-2-yl]carbamoyl]-3,8-dimethyl-5-oxononan-4-yl]hexadecanamide
CID 158922851
(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoic acid
CID 10123191
2-[[(2S)-6-amino-2-[[(3R)-3-hydroxy-2-(3-hydroxypropanoylamino)butanoyl]amino]hexanoyl]amino]butanediamide;N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-methylpentanamide;2-[3-(4-hydroxyphenyl)propanoylamino]-3-methylpentanamide
CID 143986844
(2R,5S)-N-[(2S,5S,6S)-5-carbamoyl-1-hydroxy-6-methyl-3-oxooctan-2-yl]-5-[[(2R,5S)-8-(diaminomethylideneamino)-5-[[(2R,5S)-8-(diaminomethylideneamino)-2-(1H-imidazol-5-ylmethyl)-5-methyl-4-oxooctanoyl]amino]-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-7-methyl-2-(2-methylpropyl)-4-oxooctanamide;N-[(2S)-1-[[(2S,5R)-5-[(4-hydroxyphenyl)methyl]-6-(methylamino)-3,6-dioxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]hexadecanamide
CID 158697458
4-amino-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoic acid
CID 18496983
(2S)-N-[1-[[(2S)-1-amino-3-(2,3-dihydro-1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]propanoyl]amino]-4-methylpentanamide
CID 129136696
N-[(2S)-1-[[(2S,5R)-6-[[(2S,5R)-5-[[(4S,7R)-7-[[(2S,5S)-6-[[(2R,3S,6R)-6-carbamoyl-9-(diaminomethylideneamino)-2-hydroxy-4-oxononan-3-yl]amino]-5-(hydroxymethyl)-1-(1H-imidazol-5-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(diaminomethylideneamino)-9-methyl-5-oxodecan-4-yl]carbamoyl]-8-(diaminomethylideneamino)-3-oxo-1-phenyloctan-2-yl]amino]-5-[(4-hydroxyphenyl)methyl]-3,6-dioxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexadecanamide
CID 58528499
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid
CID 25084268
(2R)-N-[(4S,7S)-7-[[(3S,7R)-7-carbamoyl-3,9-dimethyl-5-oxodecan-4-yl]carbamoyl]-1-(diaminomethylideneamino)-8-methyl-5-oxononan-4-yl]-2-[(3S)-3-[[(2R)-2-(1H-imidazol-5-ylmethyl)-4-oxopentanoyl]amino]-5-methyl-2-oxohexyl]pentanediamide
CID 167704666

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N-[(2R)-6-[[(4R,7S)-8-[[(3R,6S)-7-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxoheptan-3-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]amino]-3,6-dioxohexan-2-yl]-5-[[(2S,5R)-2-[(4-hydroxyphenyl)methyl]-5-[3-(4-hydroxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]-4-oxo-2-propan-2-ylheptanediamide?
The IUPAC name of (2R,5R)-N-[(2R)-6-[[(4R,7S)-8-[[(3R,6S)-7-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxoheptan-3-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]amino]-3,6-dioxohexan-2-yl]-5-[[(2S,5R)-2-[(4-hydroxyphenyl)methyl]-5-[3-(4-hydroxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]-4-oxo-2-propan-2-ylheptanediamide (CID 159169682) is (2R,5R)-N-[(2R)-6-[[(4R,7S)-8-[[(3R,6S)-7-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxoheptan-3-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]amino]-3,6-dioxohexan-2-yl]-5-[[(2S,5R)-2-[(4-hydroxyphenyl)methyl]-5-[3-(4-hydroxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]-4-oxo-2-propan-2-ylheptanediamide.
What is the SMILES notation for (2R,5R)-N-[(2R)-6-[[(4R,7S)-8-[[(3R,6S)-7-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxoheptan-3-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]amino]-3,6-dioxohexan-2-yl]-5-[[(2S,5R)-2-[(4-hydroxyphenyl)methyl]-5-[3-(4-hydroxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]-4-oxo-2-propan-2-ylheptanediamide?
The canonical SMILES for (2R,5R)-N-[(2R)-6-[[(4R,7S)-8-[[(3R,6S)-7-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxoheptan-3-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]amino]-3,6-dioxohexan-2-yl]-5-[[(2S,5R)-2-[(4-hydroxyphenyl)methyl]-5-[3-(4-hydroxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]-4-oxo-2-propan-2-ylheptanediamide is CC(C)C[C@@H](NC(=O)CCC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC(=O)[C@H](NC(=O)CCc1ccc(O)cc1)C(C)C)Cc1ccc(O)cc1)C(C)C)C(=O)C[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(=O)C[C@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O)C(C)C.
What is the InChIKey of (2R,5R)-N-[(2R)-6-[[(4R,7S)-8-[[(3R,6S)-7-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxoheptan-3-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]amino]-3,6-dioxohexan-2-yl]-5-[[(2S,5R)-2-[(4-hydroxyphenyl)methyl]-5-[3-(4-hydroxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]-4-oxo-2-propan-2-ylheptanediamide?
The InChIKey is KLNFLMQAXFCIIY-YPHGLGHHSA-N. The full InChI is InChI=1S/C74H100N12O16/c1-40(2)26-57(61(91)30-48(27-46-12-19-54(88)20-13-46)73(101)86-69(43(7)8)64(94)32-50(29-51-36-77-38-79-51)72(100)84-59(70(76)98)33-52-37-78-39-80-52)82-66(96)25-23-60(90)44(9)81-74(102)56(41(3)4)34-62(92)58(35-65(75)95)83-71(99)49(28-47-14-21-55(89)22-15-47)31-63(93)68(42(5)6)85-67(97)24-16-45-10-17-53(87)18-11-45/h10-15,17-22,36-44,48-50,56-59,68-69,87-89H,16,23-35H2,1-9H3,(H2,75,95)(H2,76,98)(H,77,79)(H,78,80)(H,81,102)(H,82,96)(H,83,99)(H,84,100)(H,85,97)(H,86,101)/t44-,48+,49+,50+,56-,57-,58-,59-,68-,69-/m1/s1.
What are the key properties of (2R,5R)-N-[(2R)-6-[[(4R,7S)-8-[[(3R,6S)-7-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxoheptan-3-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]amino]-3,6-dioxohexan-2-yl]-5-[[(2S,5R)-2-[(4-hydroxyphenyl)methyl]-5-[3-(4-hydroxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]-4-oxo-2-propan-2-ylheptanediamide?
(2R,5R)-N-[(2R)-6-[[(4R,7S)-8-[[(3R,6S)-7-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxoheptan-3-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]amino]-3,6-dioxohexan-2-yl]-5-[[(2S,5R)-2-[(4-hydroxyphenyl)methyl]-5-[3-(4-hydroxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]-4-oxo-2-propan-2-ylheptanediamide has a molecular weight of 1413.68 g/mol, XLogP of 4.11, 45 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N-[(2R)-6-[[(4R,7S)-8-[[(3R,6S)-7-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-6-(1H-imidazol-5-ylmethyl)-2-methyl-4,7-dioxoheptan-3-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]amino]-3,6-dioxohexan-2-yl]-5-[[(2S,5R)-2-[(4-hydroxyphenyl)methyl]-5-[3-(4-hydroxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]-4-oxo-2-propan-2-ylheptanediamide is sourced from PubChem (CID 159169682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).