2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid

C60H100N12O40 — CID 11672641

IUPAC2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)N[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](CO)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)[C@@H]1O
InChIInChI=1S/C60H100N12O40/c73-28-32(61-36(77)13-67(19-42(86)87)7-1-64(16-39(80)81)4-10-70(22-45(92)93)23-46(94)95)53(104)54(105)33(29-74)109-59-52(63-38(79)15-69(21-44(90)91)9-3-66(18-41(84)85)6-12-72(26-49(100)101)27-50(102)103)57(108)58(35(31-76)111-59)112-60-51(56(107)55(106)34(30-75)110-60)62-37(78)14-68(20-43(88)89)8-2-65(17-40(82)83)5-11-71(24-47(96)97)25-48(98)99/h32-35,51-60,73-76,104-108H,1-31H2,(H,61,77)(H,62,78)(H,63,79)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t32-,33-,34-,35-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60+/m1/s1
InChIKeyPVXDAJKRJQFNDM-KCCFDRNBSA-N
MW1629.50 g/mol
LogP-15.83
Rot. Bonds62

About 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid (PubChem CID 11672641) has the molecular formula C60H100N12O40 and a molecular weight of 1629.50 g/mol. Its IUPAC name is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
PubChem CID11672641
Molecular FormulaC60H100N12O40
Molecular Weight1629.50 g/mol
Exact Mass1628.62
IUPAC Name2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)N[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](CO)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)[C@@H]1O
InChIInChI=1S/C60H100N12O40/c73-28-32(61-36(77)13-67(19-42(86)87)7-1-64(16-39(80)81)4-10-70(22-45(92)93)23-46(94)95)53(104)54(105)33(29-74)109-59-52(63-38(79)15-69(21-44(90)91)9-3-66(18-41(84)85)6-12-72(26-49(100)101)27-50(102)103)57(108)58(35(31-76)111-59)112-60-51(56(107)55(106)34(30-75)110-60)62-37(78)14-68(20-43(88)89)8-2-65(17-40(82)83)5-11-71(24-47(96)97)25-48(98)99/h32-35,51-60,73-76,104-108H,1-31H2,(H,61,77)(H,62,78)(H,63,79)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t32-,33-,34-,35-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60+/m1/s1
InChIKeyPVXDAJKRJQFNDM-KCCFDRNBSA-N
XLogP-15.83
TPSA783.05 Ų
H-Bond Donors24
H-Bond Acceptors37
Rotatable Bonds62
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001629.50
LogP ≤ 5-15.83
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1037

Analyze 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid with MolForge

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Related Compounds

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5S)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
CID 177470560
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91851261
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91860466
2-[2-[[(5R,6R)-6-[(2S,4R,5R)-3-[3,3-bis[bis(phenylmethoxy)phosphoryl]propanoylamino]-5-[(2S,4R,5R)-3-[3,3-bis[bis(phenylmethoxy)phosphoryl]propanoylamino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7,8-trihydroxy-4-(hydroxymethyl)-2-oxooctyl]-(carboxymethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
CID 58693660
4-[[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5R)-2-(3-carboxypropanoylamino)-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-4-oxobutanoic acid
CID 91846169
N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S,3S,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 163003485
N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S,3S,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 163003486
4-[[(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5S)-5-(3-carboxypropanoylamino)-2,3,4,6-tetrahydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-4-oxobutanoic acid
CID 91861969
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-5-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91852945
N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91861935
N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 91850848
N-[(2S,3R,4R,5S,6R)-2-[(2R,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 163199384

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid (CID 11672641) is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid is O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)N[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](CO)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)[C@@H]1O.
What is the InChIKey of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid?
The InChIKey is PVXDAJKRJQFNDM-KCCFDRNBSA-N. The full InChI is InChI=1S/C60H100N12O40/c73-28-32(61-36(77)13-67(19-42(86)87)7-1-64(16-39(80)81)4-10-70(22-45(92)93)23-46(94)95)53(104)54(105)33(29-74)109-59-52(63-38(79)15-69(21-44(90)91)9-3-66(18-41(84)85)6-12-72(26-49(100)101)27-50(102)103)57(108)58(35(31-76)111-59)112-60-51(56(107)55(106)34(30-75)110-60)62-37(78)14-68(20-43(88)89)8-2-65(17-40(82)83)5-11-71(24-47(96)97)25-48(98)99/h32-35,51-60,73-76,104-108H,1-31H2,(H,61,77)(H,62,78)(H,63,79)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t32-,33-,34-,35-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60+/m1/s1.
What are the key properties of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid?
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid has a molecular weight of 1629.50 g/mol, XLogP of -15.83, 62 rotatable bonds, 24 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-[(2R,3S,4R,5R)-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid is sourced from PubChem (CID 11672641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).