(2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide

C178H303N27O53S4 — CID 71699722

IUPAC(2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](N)CCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](N)CCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](N)CCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)C(=O)NCCCC[C@H](N)C(=O)NCCCC[C@H](N)C(N)=O)cccc12
InChIInChI=1S/C178H303N27O53S4/c1-202(2)158-52-27-39-145-141(158)35-31-56-162(145)259(219,220)195-69-23-11-45-151(181)172(212)191-73-81-231-89-97-239-105-113-247-121-129-255-137-133-251-125-117-243-109-101-235-93-85-227-77-60-166(206)186-64-20-15-49-155(199-168(208)62-79-229-87-95-237-103-111-245-119-127-253-135-139-257-131-123-249-115-107-241-99-91-233-83-75-193-174(214)153(183)47-13-25-71-197-261(223,224)164-58-33-37-143-147(164)41-29-54-160(143)204(5)6)176(216)189-68-22-17-50-156(177(217)190-67-19-10-44-150(180)171(211)188-66-18-9-43-149(179)170(185)210)201-178(218)157(200-169(209)63-80-230-88-96-238-104-112-246-120-128-254-136-140-258-132-124-250-116-108-242-100-92-234-84-76-194-175(215)154(184)48-14-26-72-198-262(225,226)165-59-34-38-144-148(165)42-30-55-161(144)205(7)8)51-16-21-65-187-167(207)61-78-228-86-94-236-102-110-244-118-126-252-134-138-256-130-122-248-114-106-240-98-90-232-82-74-192-173(213)152(182)46-12-24-70-196-260(221,222)163-57-32-36-142-146(163)40-28-53-159(142)203(3)4/h27-42,52-59,149-157,195-198H,9-26,43-51,60-140,179-184H2,1-8H3,(H2,185,210)(H,186,206)(H,187,207)(H,188,211)(H,189,216)(H,190,217)(H,191,212)(H,192,213)(H,193,214)(H,194,215)(H,199,208)(H,200,209)(H,201,218)/t149-,150-,151-,152-,153-,154-,155-,156-,157-/m0/s1
InChIKeyQXQMVQDMOKRQFV-MFXNPBOVSA-N
MW3797.79 g/mol
LogP3.35
Rot. Bonds177

About (2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide

(2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide (PubChem CID 71699722) has the molecular formula C178H303N27O53S4 and a molecular weight of 3797.79 g/mol. Its IUPAC name is (2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
PubChem CID71699722
Molecular FormulaC178H303N27O53S4
Molecular Weight3797.79 g/mol
Exact Mass3795.07
IUPAC Name(2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](N)CCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](N)CCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](N)CCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)C(=O)NCCCC[C@H](N)C(=O)NCCCC[C@H](N)C(N)=O)cccc12
InChIInChI=1S/C178H303N27O53S4/c1-202(2)158-52-27-39-145-141(158)35-31-56-162(145)259(219,220)195-69-23-11-45-151(181)172(212)191-73-81-231-89-97-239-105-113-247-121-129-255-137-133-251-125-117-243-109-101-235-93-85-227-77-60-166(206)186-64-20-15-49-155(199-168(208)62-79-229-87-95-237-103-111-245-119-127-253-135-139-257-131-123-249-115-107-241-99-91-233-83-75-193-174(214)153(183)47-13-25-71-197-261(223,224)164-58-33-37-143-147(164)41-29-54-160(143)204(5)6)176(216)189-68-22-17-50-156(177(217)190-67-19-10-44-150(180)171(211)188-66-18-9-43-149(179)170(185)210)201-178(218)157(200-169(209)63-80-230-88-96-238-104-112-246-120-128-254-136-140-258-132-124-250-116-108-242-100-92-234-84-76-194-175(215)154(184)48-14-26-72-198-262(225,226)165-59-34-38-144-148(165)42-30-55-161(144)205(7)8)51-16-21-65-187-167(207)61-78-228-86-94-236-102-110-244-118-126-252-134-138-256-130-122-248-114-106-240-98-90-232-82-74-192-173(213)152(182)46-12-24-70-196-260(221,222)163-57-32-36-142-146(163)40-28-53-159(142)203(3)4/h27-42,52-59,149-157,195-198H,9-26,43-51,60-140,179-184H2,1-8H3,(H2,185,210)(H,186,206)(H,187,207)(H,188,211)(H,189,216)(H,190,217)(H,191,212)(H,192,213)(H,193,214)(H,194,215)(H,199,208)(H,200,209)(H,201,218)/t149-,150-,151-,152-,153-,154-,155-,156-,157-/m0/s1
InChIKeyQXQMVQDMOKRQFV-MFXNPBOVSA-N
XLogP3.35
TPSA1041.41 Ų
H-Bond Donors23
H-Bond Acceptors63
Rotatable Bonds177
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003797.79
LogP ≤ 53.35
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide 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

2-[(2-aminoacetyl)amino]-N-[2-[[6-amino-1-[[2-[[3-methyl-1-oxo-1-(2-oxopropylamino)pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-N'-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butyl]pentanediamide
CID 123934908
11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide
CID 58954547
N-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethyl]-5-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoylamino]-4-oxooctanediamide
CID 58369904
2-[[3-(3a-methyl-3,7a-dihydroindol-3-yl)-2-aminopropanoyl]amino]-N-[2-[[6-amino-1-[[2-[[1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-N'-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butyl]pentanediamide
CID 123178650
N-[3-[4-[3-(diaminomethylideneamino)propylamino]butylamino]propyl]-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanamide
CID 70658039
N-[5-amino-6-[[4-[[2-amino-6-[(7,7-dimethyl-6-oxooctanoyl)amino]hexanoyl]amino]-5-[[6-[2,6-bis[[6-amino-2-[(7,7-dimethyl-6-oxooctanoyl)amino]hexanoyl]amino]hexanoylamino]-1-[2-(2-ethoxyethoxy)ethylamino]-1-oxohexan-2-yl]amino]-5-oxopentyl]amino]-6-oxohexyl]-7,7-dimethyl-6-oxooctanamide
CID 118368945
(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanamide
CID 102509107
5-(dimethylamino)-N-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide
CID 137348720
(2S)-2,6-diamino-N-[2-[3-[2-[2-[3-[3-[2-[2-[2-[2-[3-[3-[2-[2-[3-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propylamino]-2-oxoethyl]hexanamide
CID 89285381
N'-[(2S)-6-amino-1-[[(5S)-6-amino-5-(aminomethylamino)-6-oxohexyl]amino]-1-oxohexan-2-yl]-N-[2-[2-[2-[2-[2-[2-(aminomethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]pentanediamide
CID 58858895
4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 53496160
2,6-diamino-N-[2-[2-[2-[3-[2-[2-[2-[3-[[6-amino-1-[[3-methyl-1-[[6-methyl-1-(methylamino)-5-oxoheptan-4-yl]amino]-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 171658554

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide?
The IUPAC name of (2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide (CID 71699722) is (2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide.
What is the SMILES notation for (2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide?
The canonical SMILES for (2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide is CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](N)CCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](N)CCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](N)CCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)C(=O)NCCCC[C@H](N)C(=O)NCCCC[C@H](N)C(N)=O)cccc12.
What is the InChIKey of (2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide?
The InChIKey is QXQMVQDMOKRQFV-MFXNPBOVSA-N. The full InChI is InChI=1S/C178H303N27O53S4/c1-202(2)158-52-27-39-145-141(158)35-31-56-162(145)259(219,220)195-69-23-11-45-151(181)172(212)191-73-81-231-89-97-239-105-113-247-121-129-255-137-133-251-125-117-243-109-101-235-93-85-227-77-60-166(206)186-64-20-15-49-155(199-168(208)62-79-229-87-95-237-103-111-245-119-127-253-135-139-257-131-123-249-115-107-241-99-91-233-83-75-193-174(214)153(183)47-13-25-71-197-261(223,224)164-58-33-37-143-147(164)41-29-54-160(143)204(5)6)176(216)189-68-22-17-50-156(177(217)190-67-19-10-44-150(180)171(211)188-66-18-9-43-149(179)170(185)210)201-178(218)157(200-169(209)63-80-230-88-96-238-104-112-246-120-128-254-136-140-258-132-124-250-116-108-242-100-92-234-84-76-194-175(215)154(184)48-14-26-72-198-262(225,226)165-59-34-38-144-148(165)42-30-55-161(144)205(7)8)51-16-21-65-187-167(207)61-78-228-86-94-236-102-110-244-118-126-252-134-138-256-130-122-248-114-106-240-98-90-232-82-74-192-173(213)152(182)46-12-24-70-196-260(221,222)163-57-32-36-142-146(163)40-28-53-159(142)203(3)4/h27-42,52-59,149-157,195-198H,9-26,43-51,60-140,179-184H2,1-8H3,(H2,185,210)(H,186,206)(H,187,207)(H,188,211)(H,189,216)(H,190,217)(H,191,212)(H,192,213)(H,193,214)(H,194,215)(H,199,208)(H,200,209)(H,201,218)/t149-,150-,151-,152-,153-,154-,155-,156-,157-/m0/s1.
What are the key properties of (2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide?
(2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide has a molecular weight of 3797.79 g/mol, XLogP of 3.35, 177 rotatable bonds, 23 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide is sourced from PubChem (CID 71699722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).