(3S)-7-amino-N-[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-amino-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]-3-[[(3S)-3-aminobutanoyl]amino]heptanamide

C68H131N17O12 — CID 10876985

IUPAC(3S)-7-amino-N-[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-amino-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]-3-[[(3S)-3-aminobutanoyl]amino]heptanamide
SMILESCC(C)[C@@H](CC(N)=O)NC(=O)C[C@H](CCCCN)NC(=O)C[C@H](C)NC(=O)C[C@@H](NC(=O)C[C@H](CCCCN)NC(=O)C[C@H](C)NC(=O)C[C@@H](NC(=O)C[C@H](CCCCN)NC(=O)C[C@H](C)NC(=O)C[C@@H](NC(=O)C[C@H](CCCCN)NC(=O)C[C@H](C)N)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C68H131N17O12/c1-41(2)53(37-57(74)86)82-62(91)34-50(22-14-18-26-70)79-59(88)30-46(10)75-67(96)39-55(43(5)6)84-64(93)36-52(24-16-20-28-72)81-61(90)32-48(12)77-68(97)40-56(44(7)8)85-65(94)35-51(23-15-19-27-71)80-60(89)31-47(11)76-66(95)38-54(42(3)4)83-63(92)33-49(21-13-17-25-69)78-58(87)29-45(9)73/h41-56H,13-40,69-73H2,1-12H3,(H2,74,86)(H,75,96)(H,76,95)(H,77,97)(H,78,87)(H,79,88)(H,80,89)(H,81,90)(H,82,91)(H,83,92)(H,84,93)(H,85,94)/t45-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+/m0/s1
InChIKeyRLVUXGADSMRLJX-QZEGOLKGSA-N
MW1378.90 g/mol
LogP1.03
Rot. Bonds55

About (3S)-7-amino-N-[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-amino-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]-3-[[(3S)-3-aminobutanoyl]amino]heptanamide

(3S)-7-amino-N-[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-amino-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]-3-[[(3S)-3-aminobutanoyl]amino]heptanamide (PubChem CID 10876985) has the molecular formula C68H131N17O12 and a molecular weight of 1378.90 g/mol. Its IUPAC name is (3S)-7-amino-N-[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-amino-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]-3-[[(3S)-3-aminobutanoyl]amino]heptanamide.

Molecular Properties

Compound Name(3S)-7-amino-N-[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-amino-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]-3-[[(3S)-3-aminobutanoyl]amino]heptanamide
PubChem CID10876985
Molecular FormulaC68H131N17O12
Molecular Weight1378.90 g/mol
Exact Mass1378.02
IUPAC Name(3S)-7-amino-N-[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-amino-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]-3-[[(3S)-3-aminobutanoyl]amino]heptanamide
SMILESCC(C)[C@@H](CC(N)=O)NC(=O)C[C@H](CCCCN)NC(=O)C[C@H](C)NC(=O)C[C@@H](NC(=O)C[C@H](CCCCN)NC(=O)C[C@H](C)NC(=O)C[C@@H](NC(=O)C[C@H](CCCCN)NC(=O)C[C@H](C)NC(=O)C[C@@H](NC(=O)C[C@H](CCCCN)NC(=O)C[C@H](C)N)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C68H131N17O12/c1-41(2)53(37-57(74)86)82-62(91)34-50(22-14-18-26-70)79-59(88)30-46(10)75-67(96)39-55(43(5)6)84-64(93)36-52(24-16-20-28-72)81-61(90)32-48(12)77-68(97)40-56(44(7)8)85-65(94)35-51(23-15-19-27-71)80-60(89)31-47(11)76-66(95)38-54(42(3)4)83-63(92)33-49(21-13-17-25-69)78-58(87)29-45(9)73/h41-56H,13-40,69-73H2,1-12H3,(H2,74,86)(H,75,96)(H,76,95)(H,77,97)(H,78,87)(H,79,88)(H,80,89)(H,81,90)(H,82,91)(H,83,92)(H,84,93)(H,85,94)/t45-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+/m0/s1
InChIKeyRLVUXGADSMRLJX-QZEGOLKGSA-N
XLogP1.03
TPSA493.29 Ų
H-Bond Donors17
H-Bond Acceptors17
Rotatable Bonds55
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001378.90
LogP ≤ 51.03
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze (3S)-7-amino-N-[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-amino-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]-3-[[(3S)-3-aminobutanoyl]amino]heptanamide 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

(3R)-7-amino-N-[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]-3-[[(3S)-3-amino-4-methylpentanoyl]amino]heptanamide
CID 10464002
(3S)-3-[[(3R)-3-[[(3S)-3-[[(3S)-3-[(3R)-3-[[(3S)-3-[[(3S)-3-aminobutanoyl]amino]-5-methylhexanoyl]amino]-4-methylpentanoyl]oxybutanoyl]amino]-5-methylhexanoyl]amino]-4-methylpentanoyl]amino]butanoic acid
CID 102244278
3-amino-N-heptan-2-ylbutanamide
CID 60836862
(3R)-3-[[(3S)-6-amino-3-[[(3R)-3-[[(3S)-3,7-diaminoheptanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-5-[[(3R)-1-[[(2R)-4-[[(2S)-1-carboxy-3-(4-hydroxyphenyl)propan-2-yl]amino]-1-hydroxy-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-oxopentanoic acid
CID 56957047
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79249380
3-(3-aminobutanoylamino)butanoic acid
CID 61160048
(3S)-3-[[(3R)-3-[[(3S)-3-[[(3R,4S)-3-[[(3S)-7-amino-3-[[(3S)-3-[[(3R)-3-[3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methylpentanoyl]amino]butanoyl]amino]heptanoyl]amino]-4-methylhexanoyl]amino]butanoyl]amino]-4-hydroxybutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
CID 102165365
(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide
CID 10920375
(2R)-4-amino-2-(3-aminobutanoylamino)-4-oxobutanoic acid
CID 103870227
(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide
CID 100933689
3-amino-N-[(2S)-butan-2-yl]butanamide
CID 142118681
6-(3-aminobutanoylamino)-2-methylheptanoic acid
CID 65286233

Frequently Asked Questions

What is the IUPAC name of (3S)-7-amino-N-[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-amino-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]-3-[[(3S)-3-aminobutanoyl]amino]heptanamide?
The IUPAC name of (3S)-7-amino-N-[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-amino-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]-3-[[(3S)-3-aminobutanoyl]amino]heptanamide (CID 10876985) is (3S)-7-amino-N-[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-amino-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]-3-[[(3S)-3-aminobutanoyl]amino]heptanamide.
What is the SMILES notation for (3S)-7-amino-N-[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-amino-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]-3-[[(3S)-3-aminobutanoyl]amino]heptanamide?
The canonical SMILES for (3S)-7-amino-N-[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-amino-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]-3-[[(3S)-3-aminobutanoyl]amino]heptanamide is CC(C)[C@@H](CC(N)=O)NC(=O)C[C@H](CCCCN)NC(=O)C[C@H](C)NC(=O)C[C@@H](NC(=O)C[C@H](CCCCN)NC(=O)C[C@H](C)NC(=O)C[C@@H](NC(=O)C[C@H](CCCCN)NC(=O)C[C@H](C)NC(=O)C[C@@H](NC(=O)C[C@H](CCCCN)NC(=O)C[C@H](C)N)C(C)C)C(C)C)C(C)C.
What is the InChIKey of (3S)-7-amino-N-[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-amino-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]-3-[[(3S)-3-aminobutanoyl]amino]heptanamide?
The InChIKey is RLVUXGADSMRLJX-QZEGOLKGSA-N. The full InChI is InChI=1S/C68H131N17O12/c1-41(2)53(37-57(74)86)82-62(91)34-50(22-14-18-26-70)79-59(88)30-46(10)75-67(96)39-55(43(5)6)84-64(93)36-52(24-16-20-28-72)81-61(90)32-48(12)77-68(97)40-56(44(7)8)85-65(94)35-51(23-15-19-27-71)80-60(89)31-47(11)76-66(95)38-54(42(3)4)83-63(92)33-49(21-13-17-25-69)78-58(87)29-45(9)73/h41-56H,13-40,69-73H2,1-12H3,(H2,74,86)(H,75,96)(H,76,95)(H,77,97)(H,78,87)(H,79,88)(H,80,89)(H,81,90)(H,82,91)(H,83,92)(H,84,93)(H,85,94)/t45-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+/m0/s1.
What are the key properties of (3S)-7-amino-N-[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-amino-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]-3-[[(3S)-3-aminobutanoyl]amino]heptanamide?
(3S)-7-amino-N-[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-amino-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]-3-[[(3S)-3-aminobutanoyl]amino]heptanamide has a molecular weight of 1378.90 g/mol, XLogP of 1.03, 55 rotatable bonds, 17 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-amino-N-[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-[[(2S)-4-[[(3S)-7-amino-1-[[(3R)-1-amino-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]-3-[[(3S)-3-aminobutanoyl]amino]heptanamide is sourced from PubChem (CID 10876985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).