2-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-amino-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]acetic acid

C52H70N6O27 — CID 11083725

IUPAC2-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-amino-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]acetic acid
SMILESCc1oc([C@@H](O)[C@H](O)[C@H](O)CN)cc1C(=O)NC[C@@H](O)[C@@H](O)[C@H](O)c1cc(C(=O)NC[C@@H](O)[C@@H](O)[C@H](O)c2cc(C(=O)NC[C@@H](O)[C@@H](O)[C@H](O)c3cc(C(=O)NC[C@@H](O)[C@@H](O)[C@H](O)c4cc(C(=O)NCC(=O)O)c(C)o4)c(C)o3)c(C)o2)c(C)o1
InChIInChI=1S/C52H70N6O27/c1-17-22(6-32(81-17)43(71)38(66)27(59)11-53)48(76)54-12-28(60)39(67)44(72)33-7-23(18(2)82-33)49(77)55-13-29(61)40(68)45(73)34-8-24(19(3)83-34)50(78)56-14-30(62)41(69)46(74)35-9-25(20(4)84-35)51(79)57-15-31(63)42(70)47(75)36-10-26(21(5)85-36)52(80)58-16-37(64)65/h6-10,27-31,38-47,59-63,66-75H,11-16,53H2,1-5H3,(H,54,76)(H,55,77)(H,56,78)(H,57,79)(H,58,80)(H,64,65)/t27-,28-,29-,30-,31-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m1/s1
InChIKeyMVOBKRLGYGKRRR-KDLYPQBZSA-N
MW1211.15 g/mol
LogP-5.54
Rot. Bonds31

About 2-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-amino-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]acetic acid

2-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-amino-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]acetic acid (PubChem CID 11083725) has the molecular formula C52H70N6O27 and a molecular weight of 1211.15 g/mol. Its IUPAC name is 2-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-amino-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-amino-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]acetic acid
PubChem CID11083725
Molecular FormulaC52H70N6O27
Molecular Weight1211.15 g/mol
Exact Mass1210.43
IUPAC Name2-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-amino-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]acetic acid
SMILESCc1oc([C@@H](O)[C@H](O)[C@H](O)CN)cc1C(=O)NC[C@@H](O)[C@@H](O)[C@H](O)c1cc(C(=O)NC[C@@H](O)[C@@H](O)[C@H](O)c2cc(C(=O)NC[C@@H](O)[C@@H](O)[C@H](O)c3cc(C(=O)NC[C@@H](O)[C@@H](O)[C@H](O)c4cc(C(=O)NCC(=O)O)c(C)o4)c(C)o3)c(C)o2)c(C)o1
InChIInChI=1S/C52H70N6O27/c1-17-22(6-32(81-17)43(71)38(66)27(59)11-53)48(76)54-12-28(60)39(67)44(72)33-7-23(18(2)82-33)49(77)55-13-29(61)40(68)45(73)34-8-24(19(3)83-34)50(78)56-14-30(62)41(69)46(74)35-9-25(20(4)84-35)51(79)57-15-31(63)42(70)47(75)36-10-26(21(5)85-36)52(80)58-16-37(64)65/h6-10,27-31,38-47,59-63,66-75H,11-16,53H2,1-5H3,(H,54,76)(H,55,77)(H,56,78)(H,57,79)(H,58,80)(H,64,65)/t27-,28-,29-,30-,31-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m1/s1
InChIKeyMVOBKRLGYGKRRR-KDLYPQBZSA-N
XLogP-5.54
TPSA577.97 Ų
H-Bond Donors22
H-Bond Acceptors27
Rotatable Bonds31
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001211.15
LogP ≤ 5-5.54
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1027

Analyze 2-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-amino-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[5-[(1R,2S,3R)-4-[[5-[(1R,2S,3R)-4-amino-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]-2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-methylfuran-3-carbonyl]amino]acetate
CID 134834898
2-methyl-5-[(1R,2R,3R)-1,2,3,4-tetrahydroxybutyl]furan-3-carboxylic acid
CID 7129352
1-[2-methyl-5-[(1S,2S,3R)-1,2,3,4-tetrahydroxybutyl]furan-3-yl]ethanone
CID 12920809
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
CID 43461466
N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 66089287
N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 113271444
N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide
CID 61127079
N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 90534310
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55883820
N-(2-chloro-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 107156842
2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid
CID 43354495
2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide
CID 81487603

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-amino-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-amino-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]acetic acid (CID 11083725) is 2-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-amino-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-amino-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-amino-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]acetic acid is Cc1oc([C@@H](O)[C@H](O)[C@H](O)CN)cc1C(=O)NC[C@@H](O)[C@@H](O)[C@H](O)c1cc(C(=O)NC[C@@H](O)[C@@H](O)[C@H](O)c2cc(C(=O)NC[C@@H](O)[C@@H](O)[C@H](O)c3cc(C(=O)NC[C@@H](O)[C@@H](O)[C@H](O)c4cc(C(=O)NCC(=O)O)c(C)o4)c(C)o3)c(C)o2)c(C)o1.
What is the InChIKey of 2-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-amino-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]acetic acid?
The InChIKey is MVOBKRLGYGKRRR-KDLYPQBZSA-N. The full InChI is InChI=1S/C52H70N6O27/c1-17-22(6-32(81-17)43(71)38(66)27(59)11-53)48(76)54-12-28(60)39(67)44(72)33-7-23(18(2)82-33)49(77)55-13-29(61)40(68)45(73)34-8-24(19(3)83-34)50(78)56-14-30(62)41(69)46(74)35-9-25(20(4)84-35)51(79)57-15-31(63)42(70)47(75)36-10-26(21(5)85-36)52(80)58-16-37(64)65/h6-10,27-31,38-47,59-63,66-75H,11-16,53H2,1-5H3,(H,54,76)(H,55,77)(H,56,78)(H,57,79)(H,58,80)(H,64,65)/t27-,28-,29-,30-,31-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m1/s1.
What are the key properties of 2-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-amino-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]acetic acid?
2-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-amino-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]acetic acid has a molecular weight of 1211.15 g/mol, XLogP of -5.54, 31 rotatable bonds, 22 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-[[5-[(1S,2R,3R)-4-amino-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]-1,2,3-trihydroxybutyl]-2-methylfuran-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 11083725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).