About methyl N-[(2S,3S)-1-[[(2S,3R)-4-[cyclopentylmethyl-[4-(nitrosomethyl)phenyl]sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-N-[6-(methoxymethyl)-2-pyridinyl]carbamate
methyl N-[(2S,3S)-1-[[(2S,3R)-4-[cyclopentylmethyl-[4-(nitrosomethyl)phenyl]sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-N-[6-(methoxymethyl)-2-pyridinyl]carbamate (PubChem CID 90872313) has the molecular formula C38H51N5O8S
and a molecular weight of 737.92 g/mol. Its IUPAC name is methyl N-[(2S,3S)-1-[[(2S,3R)-4-[cyclopentylmethyl-[4-(nitrosomethyl)phenyl]sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-N-[6-(methoxymethyl)-2-pyridinyl]carbamate.
Analyze methyl N-[(2S,3S)-1-[[(2S,3R)-4-[cyclopentylmethyl-[4-(nitrosomethyl)phenyl]sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-N-[6-(methoxymethyl)-2-pyridinyl]carbamate with MolForge
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Frequently Asked Questions
What is the IUPAC name of methyl N-[(2S,3S)-1-[[(2S,3R)-4-[cyclopentylmethyl-[4-(nitrosomethyl)phenyl]sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-N-[6-(methoxymethyl)-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[(2S,3S)-1-[[(2S,3R)-4-[cyclopentylmethyl-[4-(nitrosomethyl)phenyl]sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-N-[6-(methoxymethyl)-2-pyridinyl]carbamate (CID 90872313) is methyl N-[(2S,3S)-1-[[(2S,3R)-4-[cyclopentylmethyl-[4-(nitrosomethyl)phenyl]sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-N-[6-(methoxymethyl)-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[(2S,3S)-1-[[(2S,3R)-4-[cyclopentylmethyl-[4-(nitrosomethyl)phenyl]sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-N-[6-(methoxymethyl)-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[(2S,3S)-1-[[(2S,3R)-4-[cyclopentylmethyl-[4-(nitrosomethyl)phenyl]sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-N-[6-(methoxymethyl)-2-pyridinyl]carbamate is CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC1CCCC1)S(=O)(=O)c1ccc(CN=O)cc1)N(C(=O)OC)c1cccc(COC)n1.
What is the InChIKey of methyl N-[(2S,3S)-1-[[(2S,3R)-4-[cyclopentylmethyl-[4-(nitrosomethyl)phenyl]sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-N-[6-(methoxymethyl)-2-pyridinyl]carbamate?
The InChIKey is KSYOBMXGMHUDPZ-FUAFSPAFSA-N. The full InChI is InChI=1S/C38H51N5O8S/c1-5-27(2)36(43(38(46)51-4)35-17-11-16-31(40-35)26-50-3)37(45)41-33(22-28-12-7-6-8-13-28)34(44)25-42(24-30-14-9-10-15-30)52(48,49)32-20-18-29(19-21-32)23-39-47/h6-8,11-13,16-21,27,30,33-34,36,44H,5,9-10,14-15,22-26H2,1-4H3,(H,41,45)/t27-,33-,34+,36-/m0/s1.
What are the key properties of methyl N-[(2S,3S)-1-[[(2S,3R)-4-[cyclopentylmethyl-[4-(nitrosomethyl)phenyl]sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-N-[6-(methoxymethyl)-2-pyridinyl]carbamate?
methyl N-[(2S,3S)-1-[[(2S,3R)-4-[cyclopentylmethyl-[4-(nitrosomethyl)phenyl]sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-N-[6-(methoxymethyl)-2-pyridinyl]carbamate has a molecular weight of 737.92 g/mol, XLogP of 5.45, 19 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S,3S)-1-[[(2S,3R)-4-[cyclopentylmethyl-[4-(nitrosomethyl)phenyl]sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-N-[6-(methoxymethyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 90872313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).