(2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide

C180H306N26O26 — CID 159177884

IUPAC(2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide
SMILESCCCCC(C)(C)C(=O)NC[C@H](O)[C@@H](N)C[C@@H](C(C)C)[C@@H](O)c1ccc2cnn(CCCOC(C)C)c2c1.CCCCC(C)(C)C(=O)NC[C@H](O)[C@@H](N)C[C@@H](C(C)C)[C@@H](OC(C)=O)c1ccc2cnn(CCCOC)c2c1.CCCCC(C)(C)C(=O)NC[C@H](O)[C@@H](N)C[C@@H](C(C)C)[C@H](O)c1ccc2cnn(CCCOC(C)C)c2c1.CCCCC(C)(C)C(=O)NC[C@H](O)[C@@H](N)C[C@@H](C(C)C)[C@H](OC(C)=O)c1ccc2cnn(CCCOC)c2c1.COCCCn1ncc2ccc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)cc21.COCCCn1ncc2ccc(C[C@@H](C[C@H](N)[C@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)cc21
InChIInChI=1S/2C30H51N5O4.2C30H50N4O5.2C30H52N4O4/c2*1-19(2)23(13-21-9-10-22-17-34-35(26(22)14-21)11-8-12-39-7)15-25(31)27(36)16-24(20(3)4)28(37)33-18-30(5,6)29(32)38;2*1-8-9-13-30(5,6)29(37)32-19-27(36)25(31)17-24(20(2)3)28(39-21(4)35)22-11-12-23-18-33-34(26(23)16-22)14-10-15-38-7;2*1-8-9-13-30(6,7)29(37)32-19-27(35)25(31)17-24(20(2)3)28(36)22-11-12-23-18-33-34(26(23)16-22)14-10-15-38-21(4)5/h2*9-10,14,17,19-20,23-25,27,36H,8,11-13,15-16,18,31H2,1-7H3,(H2,32,38)(H,33,37);2*11-12,16,18,20,24-25,27-28,36H,8-10,13-15,17,19,31H2,1-7H3,(H,32,37);2*11-12,16,18,20-21,24-25,27-28,35-36H,8-10,13-15,17,19,31H2,1-7H3,(H,32,37)/t23-,24-,25-,27+;23-,24-,25-,27-;24-,25-,27-,28+;24-,25-,27-,28-;24-,25-,27-,28+;24-,25-,27-,28-/m000000/s1
InChIKeyKMMZKQXEJXTBJD-AFGPPVORSA-N
MW3250.58 g/mol
LogP24.37
Rot. Bonds102

About (2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide

(2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide (PubChem CID 159177884) has the molecular formula C180H306N26O26 and a molecular weight of 3250.58 g/mol. Its IUPAC name is (2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide.

Molecular Properties

Compound Name(2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide
PubChem CID159177884
Molecular FormulaC180H306N26O26
Molecular Weight3250.58 g/mol
Exact Mass3248.34
IUPAC Name(2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide
SMILESCCCCC(C)(C)C(=O)NC[C@H](O)[C@@H](N)C[C@@H](C(C)C)[C@@H](O)c1ccc2cnn(CCCOC(C)C)c2c1.CCCCC(C)(C)C(=O)NC[C@H](O)[C@@H](N)C[C@@H](C(C)C)[C@@H](OC(C)=O)c1ccc2cnn(CCCOC)c2c1.CCCCC(C)(C)C(=O)NC[C@H](O)[C@@H](N)C[C@@H](C(C)C)[C@H](O)c1ccc2cnn(CCCOC(C)C)c2c1.CCCCC(C)(C)C(=O)NC[C@H](O)[C@@H](N)C[C@@H](C(C)C)[C@H](OC(C)=O)c1ccc2cnn(CCCOC)c2c1.COCCCn1ncc2ccc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)cc21.COCCCn1ncc2ccc(C[C@@H](C[C@H](N)[C@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)cc21
InChIInChI=1S/2C30H51N5O4.2C30H50N4O5.2C30H52N4O4/c2*1-19(2)23(13-21-9-10-22-17-34-35(26(22)14-21)11-8-12-39-7)15-25(31)27(36)16-24(20(3)4)28(37)33-18-30(5,6)29(32)38;2*1-8-9-13-30(5,6)29(37)32-19-27(36)25(31)17-24(20(2)3)28(39-21(4)35)22-11-12-23-18-33-34(26(23)16-22)14-10-15-38-7;2*1-8-9-13-30(6,7)29(37)32-19-27(35)25(31)17-24(20(2)3)28(36)22-11-12-23-18-33-34(26(23)16-22)14-10-15-38-21(4)5/h2*9-10,14,17,19-20,23-25,27,36H,8,11-13,15-16,18,31H2,1-7H3,(H2,32,38)(H,33,37);2*11-12,16,18,20,24-25,27-28,36H,8-10,13-15,17,19,31H2,1-7H3,(H,32,37);2*11-12,16,18,20-21,24-25,27-28,35-36H,8-10,13-15,17,19,31H2,1-7H3,(H,32,37)/t23-,24-,25-,27+;23-,24-,25-,27-;24-,25-,27-,28+;24-,25-,27-,28-;24-,25-,27-,28+;24-,25-,27-,28-/m000000/s1
InChIKeyKMMZKQXEJXTBJD-AFGPPVORSA-N
XLogP24.37
TPSA793.64 Ų
H-Bond Donors22
H-Bond Acceptors44
Rotatable Bonds102
Heavy Atoms232
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003250.58
LogP ≤ 524.37
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1044

Analyze (2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide?
The IUPAC name of (2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide (CID 159177884) is (2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide.
What is the SMILES notation for (2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide?
The canonical SMILES for (2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide is CCCCC(C)(C)C(=O)NC[C@H](O)[C@@H](N)C[C@@H](C(C)C)[C@@H](O)c1ccc2cnn(CCCOC(C)C)c2c1.CCCCC(C)(C)C(=O)NC[C@H](O)[C@@H](N)C[C@@H](C(C)C)[C@@H](OC(C)=O)c1ccc2cnn(CCCOC)c2c1.CCCCC(C)(C)C(=O)NC[C@H](O)[C@@H](N)C[C@@H](C(C)C)[C@H](O)c1ccc2cnn(CCCOC(C)C)c2c1.CCCCC(C)(C)C(=O)NC[C@H](O)[C@@H](N)C[C@@H](C(C)C)[C@H](OC(C)=O)c1ccc2cnn(CCCOC)c2c1.COCCCn1ncc2ccc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)cc21.COCCCn1ncc2ccc(C[C@@H](C[C@H](N)[C@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)cc21.
What is the InChIKey of (2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide?
The InChIKey is KMMZKQXEJXTBJD-AFGPPVORSA-N. The full InChI is InChI=1S/2C30H51N5O4.2C30H50N4O5.2C30H52N4O4/c2*1-19(2)23(13-21-9-10-22-17-34-35(26(22)14-21)11-8-12-39-7)15-25(31)27(36)16-24(20(3)4)28(37)33-18-30(5,6)29(32)38;2*1-8-9-13-30(5,6)29(37)32-19-27(36)25(31)17-24(20(2)3)28(39-21(4)35)22-11-12-23-18-33-34(26(23)16-22)14-10-15-38-7;2*1-8-9-13-30(6,7)29(37)32-19-27(35)25(31)17-24(20(2)3)28(36)22-11-12-23-18-33-34(26(23)16-22)14-10-15-38-21(4)5/h2*9-10,14,17,19-20,23-25,27,36H,8,11-13,15-16,18,31H2,1-7H3,(H2,32,38)(H,33,37);2*11-12,16,18,20,24-25,27-28,36H,8-10,13-15,17,19,31H2,1-7H3,(H,32,37);2*11-12,16,18,20-21,24-25,27-28,35-36H,8-10,13-15,17,19,31H2,1-7H3,(H,32,37)/t23-,24-,25-,27+;23-,24-,25-,27-;24-,25-,27-,28+;24-,25-,27-,28-;24-,25-,27-,28+;24-,25-,27-,28-/m000000/s1.
What are the key properties of (2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide?
(2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide has a molecular weight of 3250.58 g/mol, XLogP of 24.37, 102 rotatable bonds, 22 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide is sourced from PubChem (CID 159177884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).